2-amino-4-(2,4-dichlorophenyl)-1-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2,4-dichlorophenyl)-1-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2,4-dichlorophenyl)-1-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8015-8100 |
| Compound Name: | 2-amino-4-(2,4-dichlorophenyl)-1-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 554.52 |
| Molecular Formula: | C26 H21 Cl2 N5 O S2 |
| Smiles: | Cc1ccc(CSc2nnc(N3C4CCCC(C=4C(C(C#N)=C3N)c3ccc(cc3[Cl])[Cl])=O)s2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.046 |
| logD: | 6.046 |
| logSw: | -6.0283 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.785 |
| InChI Key: | XTVGFGHKRMJIAC-JOCHJYFZSA-N |