2-amino-1-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(4-ethoxyphenyl)-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)-4-(4-ethoxyphenyl)-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)-4-(4-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8015-8133 |
| Compound Name: | 2-amino-1-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(4-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 550.1 |
| Molecular Formula: | C27 H24 Cl N5 O2 S2 |
| Smiles: | CCOc1ccc(cc1)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1nnc(SCc2ccc(cc2)[Cl])s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9256 |
| logD: | 4.9256 |
| logSw: | -5.214 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.909 |
| InChI Key: | LDVREVWRQZTQNP-QHCPKHFHSA-N |