butyl 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
butyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
butyl 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: | 1630-1466 |
| Compound Name: | butyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 462.34 |
| Molecular Formula: | C22 H24 Br N O5 |
| Smiles: | CCCCOC(C1C(C2=C(CCCC2=O)NC=1C)c1cc2c(cc1[Br])OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7544 |
| logD: | 1.0218 |
| logSw: | -4.5448 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.084 |
| InChI Key: | RBTSFRJONFAPCN-FQEVSTJZSA-N |