1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-N-(2-oxothiolan-3-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-N-(2-oxothiolan-3-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-N-(2-oxothiolan-3-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 8016-2252 |
| Compound Name: | 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-N-(2-oxothiolan-3-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C23 H24 N2 O5 S |
| Smiles: | CC1(C)CC2=C(C=C(C(NC3CCSC3=O)=O)C(N2c2ccc(cc2)OC)=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9231 |
| logD: | 1.703 |
| logSw: | -2.5657 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.091 |
| InChI Key: | HLULIJKZZMYKOV-QGZVFWFLSA-N |