2-amino-1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(4-ethoxyphenyl)-7,7-dimethyl-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-(4-ethoxyphenyl)-7,7-dimethyl-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-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8015-7130 |
| Compound Name: | 2-amino-1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 578.15 |
| Molecular Formula: | C29 H28 Cl N5 O2 S2 |
| Smiles: | CCOc1ccc(cc1)C1C(C#N)=C(N)N(C2CC(C)(C)CC(C1=2)=O)c1nnc(SCc2ccccc2[Cl])s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8922 |
| logD: | 5.8922 |
| logSw: | -6.0857 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.909 |
| InChI Key: | GFJZLBXKQGEDQO-DEOSSOPVSA-N |