butyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
butyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
butyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3028-4990 |
| Compound Name: | butyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 476.53 |
| Molecular Formula: | C27 H28 N2 O6 |
| Smiles: | CCCCOC(C1C(C2=C(CC(CC2=O)c2ccccc2)NC=1C)c1ccc(c(c1)[N+]([O-])=O)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8682 |
| logD: | 1.3879 |
| logSw: | -5.2833 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.326 |
| InChI Key: | IIKWPVBIIQPWRD-UHFFFAOYSA-N |