pentyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
pentyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
pentyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-1303 |
| Compound Name: | pentyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 478.38 |
| Molecular Formula: | C23 H28 Br N O5 |
| Smiles: | CCCCCOC(C1C(C2=C(CCCC2=O)NC=1C)c1cc(c(c(c1)[Br])O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7645 |
| logD: | 0.8687 |
| logSw: | -4.3647 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.079 |
| InChI Key: | YZQDTLNDMAXRBG-FQEVSTJZSA-N |