prop-2-en-1-yl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
prop-2-en-1-yl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y508-0627 |
| Compound Name: | prop-2-en-1-yl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 432.31 |
| Molecular Formula: | C21 H22 Br N O4 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(c(c1)[Br])OC)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6347 |
| logD: | -0.0037 |
| logSw: | -3.8989 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.599 |
| InChI Key: | JOTUOPGQKHAIIW-IBGZPJMESA-N |