4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-2-methyl-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-2-methyl-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-2-methyl-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 8017-4128 |
| Compound Name: | 4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-2-methyl-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 543.73 |
| Molecular Formula: | C29 H25 N3 O2 S3 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cc(CSc2nc3ccccc3s2)cs1)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1989 |
| logD: | 4.4913 |
| logSw: | -5.3558 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.841 |
| InChI Key: | BXHMSVKANWRRMD-MHZLTWQESA-N |