2-amino-7,7-dimethyl-1-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-1-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-7,7-dimethyl-1-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8015-8102 |
| Compound Name: | 2-amino-7,7-dimethyl-1-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 514.67 |
| Molecular Formula: | C27 H26 N6 O S2 |
| Smiles: | Cc1ccc(CSc2nnc(N3C4CC(C)(C)CC(C=4C(C(C#N)=C3N)c3cccnc3)=O)s2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9307 |
| logD: | 3.9307 |
| logSw: | -3.8703 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.303 |
| InChI Key: | YNNRCPJBYRFQHC-QFIPXVFZSA-N |