2-amino-1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(2,5-dimethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(2,5-dimethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(2,5-dimethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8015-8139 |
| Compound Name: | 2-amino-1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(2,5-dimethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 566.1 |
| Molecular Formula: | C27 H24 Cl N5 O3 S2 |
| Smiles: | COc1ccc(c(c1)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1nnc(SCc2ccccc2[Cl])s1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2474 |
| logD: | 5.2474 |
| logSw: | -5.7077 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.959 |
| InChI Key: | XAIUDTOUUOAVSO-QHCPKHFHSA-N |