methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2017-2411 |
| Compound Name: | methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 464.36 |
| Molecular Formula: | C22 H26 Br N O5 |
| Smiles: | CCOc1cc(cc(c1O)[Br])C1C(=C(C)NC2CC(C)(C)CC(C1=2)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1001 |
| logD: | -0.187 |
| logSw: | -4.1745 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.785 |
| InChI Key: | AIDYNDZWFRGOAV-SFHVURJKSA-N |