N-(1,3-benzothiazol-2-yl)-4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
N-(1,3-benzothiazol-2-yl)-4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 3716-0153 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 523.01 |
| Molecular Formula: | C26 H23 Cl N4 O4 S |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cc(ccc1[Cl])[N+]([O-])=O)C(Nc1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1141 |
| logD: | 4.2228 |
| logSw: | -6.1055 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.155 |
| InChI Key: | QOOJZFVJNSLJDO-QFIPXVFZSA-N |