prop-2-en-1-yl 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
prop-2-en-1-yl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
prop-2-en-1-yl 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: | 2266-2497 |
| Compound Name: | prop-2-en-1-yl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 490.39 |
| Molecular Formula: | C24 H28 Br N O5 |
| Smiles: | CCOc1cc(cc(c1O)[Br])C1C(=C(C)NC2CC(C)(C)CC(C1=2)=O)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.545 |
| logD: | 0.5153 |
| logSw: | -4.2446 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.659 |
| InChI Key: | VSECHMDKOOIKIU-FQEVSTJZSA-N |