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Chemistry

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Also known as:
Molecular Formula
C25H36N6O4S
Molecular Weight
516.7  g/mol
InChI Key
IYFNEFQTYQPVOC-UHFFFAOYSA-N

Udenafil
1 2D Structure

Udenafil

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-propoxybenzenesulfonamide
2.1.2 InChI
InChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)
2.1.3 InChI Key
IYFNEFQTYQPVOC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NCCC4CCCN4C)OCCC)C
2.1.5 Isomeric SMILES
CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NCCC4CCCN4C)OCCC)C
2.2 Create Date
2006-07-28
3 Chemical and Physical Properties
Molecular Weight 516.7 g/mol
Molecular Formula C25H36N6O4S
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass516.25187482 g/mol
Monoisotopic Mass516.25187482 g/mol
Topological Polar Surface Area126 A^2
Heavy Atom Count36
Formal Charge0
Complexity894
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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