pentyl 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
pentyl 2,7,7-trimethyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
pentyl 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: | 1630-0241 |
| Compound Name: | pentyl 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: | 470.52 |
| Molecular Formula: | C25 H30 N2 O7 |
| Smiles: | CCCCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1cc2c(cc1[N+]([O-])=O)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.221 |
| logD: | 0.9339 |
| logSw: | -4.9644 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.165 |
| InChI Key: | PNFDFYNCRBKUMD-QFIPXVFZSA-N |