pentyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
pentyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
pentyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-0704 |
| Compound Name: | pentyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 504.42 |
| Molecular Formula: | C25 H30 Br N O5 |
| Smiles: | CCCCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1cc2c(cc1[Br])OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9101 |
| logD: | 1.7861 |
| logSw: | -5.1848 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.084 |
| InChI Key: | NQERXVKKRNTYFG-QFIPXVFZSA-N |