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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
Discover Molecule Insights

FINISHED DOSAGE FORMULATIONS

1 FDF Dossiers, 1 Canada

1 FDF Dossiers
1 Canada

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1 Nanjing Well Pharmaceutical

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1 Nanjing Well Pharmaceutical

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Synopsis

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Chemistry

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Also known as:

Molecular Formula

C₂₄H₂₀N₄O

Molecular Weight

380.4 g/mol

InChI Key

KMDLOETUWUPGMB-BXCCFQQFSA-N

1 2D Structure

Scarlet Red

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1Z)-1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]hydrazinylidene]naphthalen-2-one

2.1.2 InChI

InChI=1S/C24H20N4O/c1-16-7-3-6-10-21(16)26-25-19-12-13-22(17(2)15-19)27-28-24-20-9-5-4-8-18(20)11-14-23(24)29/h3-15,27H,1-2H3/b26-25?,28-24-

2.1.3 InChI Key

KMDLOETUWUPGMB-BXCCFQQFSA-N

2.1.4 Canonical SMILES

CC1=CC=CC=C1N=NC2=CC(=C(C=C2)NN=C3C(=O)C=CC4=CC=CC=C43)C

2.1.5 Isomeric SMILES

CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N/N=C/3\C(=O)C=CC4=CC=CC=C43)C

2.2 Create Date

2005-09-09

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₂₀N₄O
Molecular Weight	380.4 g/mol
XLogP3	6.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	380.16371127 g/mol
Monoisotopic Mass	380.16371127 g/mol
Topological Polar Surface Area	66.2 A^2
Heavy Atom Count	29
Formal Charge	0
Complexity	670
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1