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    Technical details about NT-0796, learn more about the structure, uses, toxicity, action, side effects and more

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    NT-0796

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: Nt-0796, 2272917-13-0, Schembl23139014, Gtpl13008, Glxc-27951, Ex-a8245
    Molecular Formula
    C23H27N3O4
    Molecular Weight
    409.5  g/mol
    InChI Key
    UMUQEMHROZVOTF-LJQANCHMSA-N
    FDA UNII
    S7V5RX5WBZ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    propan-2-yl (2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyrimidin-2-ylpropanoate
    2.1.2 InChI
    InChI=1S/C23H27N3O4/c1-14(2)29-22(27)19(13-20-24-10-5-11-25-20)30-23(28)26-21-17-8-3-6-15(17)12-16-7-4-9-18(16)21/h5,10-12,14,19H,3-4,6-9,13H2,1-2H3,(H,26,28)/t19-/m1/s1
    2.1.3 InChI Key
    UMUQEMHROZVOTF-LJQANCHMSA-N
    2.1.4 Canonical SMILES
    CC(C)OC(=O)C(CC1=NC=CC=N1)OC(=O)NC2=C3CCCC3=CC4=C2CCC4
    2.1.5 Isomeric SMILES
    CC(C)OC(=O)[C@@H](CC1=NC=CC=N1)OC(=O)NC2=C3CCCC3=CC4=C2CCC4
    2.2 Other Identifiers
    2.2.1 UNII
    S7V5RX5WBZ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Nt-0796

    2. 2272917-13-0

    3. Schembl23139014

    4. Gtpl13008

    5. Glxc-27951

    6. Ex-a8245

    7. Nt0796

    8. Hy-156438

    9. Cs-0901311

    10. 1-methylethyl (alphar)-alpha-[[[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]carbonyl]oxy]-2-pyrimidinepropanoate

    11. 2-pyrimidinepropanoic Acid, Alpha-[[[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]carbonyl]oxy]-, 1-methylethyl Ester, (alphar)-

    12. Isopropyl (r)-2-(((1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl)oxy)-3-(pyrimidin-2-yl)propanoate

    13. Propan-2-yl (2r)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyrimidin-2-ylpropanoate

    2.4 Create Date
    2020-08-13
    3 Chemical and Physical Properties
    Molecular Weight 409.5 g/mol
    Molecular Formula C23H27N3O4
    XLogP34.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area90.4
    Heavy Atom Count30
    Formal Charge0
    Complexity587
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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