ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 6049-0005 |
| Compound Name: | ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 545.56 |
| Molecular Formula: | C29 H30 F3 N O6 |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)OC=1N)c1ccc(c(COc2cccc(c2)C(F)(F)F)c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0903 |
| logD: | 5.0903 |
| logSw: | -5.2138 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.158 |
| InChI Key: | KLCSSTSCRBIOQM-HSZRJFAPSA-N |