7,7-dimethyl-2,5-dioxo-N-(2-oxothiolan-3-yl)-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
7,7-dimethyl-2,5-dioxo-N-(2-oxothiolan-3-yl)-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
7,7-dimethyl-2,5-dioxo-N-(2-oxothiolan-3-yl)-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 4781-0047 |
| Compound Name: | 7,7-dimethyl-2,5-dioxo-N-(2-oxothiolan-3-yl)-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C22 H22 N2 O4 S |
| Smiles: | CC1(C)CC2=C(C=C(C(NC3CCSC3=O)=O)C(N2c2ccccc2)=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8191 |
| logD: | 1.599 |
| logSw: | -2.3858 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.547 |
| InChI Key: | RKMHXOAZNJQESU-MRXNPFEDSA-N |