N-(1,3-benzothiazol-2-yl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
N-(1,3-benzothiazol-2-yl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 3716-0342 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C24 H20 N4 O4 S |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cccc(c1)[N+]([O-])=O)C(Nc1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5676 |
| logD: | 2.9008 |
| logSw: | -4.5386 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.155 |
| InChI Key: | KAHSAQQUAQOSIE-NRFANRHFSA-N |