2-amino-1-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Chemical Structure Depiction of
2-amino-1-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Available: 25 mg
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mg
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Compound characteristics

Compound ID: 8015-7132
Compound Name: 2-amino-1-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Molecular Weight: 580.19
Molecular Formula: C28 H26 Cl N5 O S3
Smiles: CC1(C)CC2=C(C(C(C#N)=C(N)N2c2nnc(SCc3ccc(cc3)[Cl])s2)c2ccc(cc2)SC)C(C1)=O
Stereo: RACEMIC MIXTURE
logP: 5.9009
logD: 5.9009
logSw: -6.3535
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 2
Polar surface area: 74.785
InChI Key: VUGMLWXNYVIQLW-QHCPKHFHSA-N
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