propan-2-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
propan-2-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
propan-2-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: | 5991-0021 |
| Compound Name: | propan-2-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: | 478.38 |
| Molecular Formula: | C23 H28 Br N O5 |
| Smiles: | CC(C)OC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1cc(c(c(c1)[Br])O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2805 |
| logD: | -0.0066 |
| logSw: | -4.2053 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.464 |
| InChI Key: | PAJOMZBUVDHRHG-IBGZPJMESA-N |