1-(4-chlorophenyl)-2,5-dioxo-N-(2-oxothiolan-3-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
1-(4-chlorophenyl)-2,5-dioxo-N-(2-oxothiolan-3-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
1-(4-chlorophenyl)-2,5-dioxo-N-(2-oxothiolan-3-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 8015-8002 |
| Compound Name: | 1-(4-chlorophenyl)-2,5-dioxo-N-(2-oxothiolan-3-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 416.88 |
| Molecular Formula: | C20 H17 Cl N2 O4 S |
| Smiles: | C1CC2=C(C=C(C(NC3CCSC3=O)=O)C(N2c2ccc(cc2)[Cl])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9104 |
| logD: | 1.6903 |
| logSw: | -2.8589 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.547 |
| InChI Key: | CTLKQHBUZNPNSZ-HNNXBMFYSA-N |