methyl 4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8017-1120 |
| Compound Name: | methyl 4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 482.64 |
| Molecular Formula: | C24 H22 N2 O3 S3 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cc(CSc2nc3ccccc3s2)cs1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3355 |
| logD: | 1.2872 |
| logSw: | -5.2358 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.923 |
| InChI Key: | OZBZPQQODBHAOI-QFIPXVFZSA-N |