2-phenylethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-phenylethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-phenylethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2266-2593 |
| Compound Name: | 2-phenylethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 510.38 |
| Molecular Formula: | C26 H24 Br N O5 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cc2c(cc1[Br])OCO2)C(=O)OCCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2772 |
| logD: | 1.5446 |
| logSw: | -5.2275 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.813 |
| InChI Key: | IGIHQMKUOVMNJF-DEOSSOPVSA-N |