2-phenylethyl 2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-phenylethyl 2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-phenylethyl 2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2786-4522 |
| Compound Name: | 2-phenylethyl 2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 552.58 |
| Molecular Formula: | C32 H28 N2 O7 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccccc2)N1)c1cc2c(cc1[N+]([O-])=O)OCO2)C(=O)OCCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3948 |
| logD: | 1.9146 |
| logSw: | -5.607 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.622 |
| InChI Key: | DYNPIJUEKBZQGX-UHFFFAOYSA-N |