benzyl 2,7,7-trimethyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
benzyl 2,7,7-trimethyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
benzyl 2,7,7-trimethyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0003 |
| Compound Name: | benzyl 2,7,7-trimethyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 490.51 |
| Molecular Formula: | C27 H26 N2 O7 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cc2c(cc1[N+]([O-])=O)OCO2)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7599 |
| logD: | 0.7302 |
| logSw: | -4.8281 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.975 |
| InChI Key: | KNCJYEWLYSHVAT-DEOSSOPVSA-N |