N-(6-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-(6-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
N-(6-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 3716-0126 |
| Compound Name: | N-(6-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 567.46 |
| Molecular Formula: | C26 H23 Br N4 O4 S |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(cc1)[N+]([O-])=O)C(Nc1nc2ccc(cc2s1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9609 |
| logD: | 3.9082 |
| logSw: | -5.5113 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.155 |
| InChI Key: | TYOXGFXUNWOYIQ-QFIPXVFZSA-N |