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
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
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 |