ethyl 2-methyl-4-(4-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 2-methyl-4-(4-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 2-methyl-4-(4-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8017-1889 |
| Compound Name: | ethyl 2-methyl-4-(4-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C22 H25 N3 O3 S2 |
| Smiles: | CCOC(C1C(C2=C(CCCC2=O)NC=1C)c1cc(CSc2nccn2C)cs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3434 |
| logD: | -0.7048 |
| logSw: | -3.658 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.341 |
| InChI Key: | BWCYWHJEHOJVJI-FQEVSTJZSA-N |