prop-2-en-1-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
prop-2-en-1-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-1336 |
| Compound Name: | prop-2-en-1-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 476.37 |
| Molecular Formula: | C23 H26 Br N O5 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cc(c(c(c1)[Br])O)OC)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8395 |
| logD: | -0.1902 |
| logSw: | -3.9183 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.079 |
| InChI Key: | WUOOQBZPSCZYSQ-IBGZPJMESA-N |