8-{[butyl(methyl)amino]methyl}-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-{[butyl(methyl)amino]methyl}-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-{[butyl(methyl)amino]methyl}-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5848-4177 |
| Compound Name: | 8-{[butyl(methyl)amino]methyl}-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 449.47 |
| Molecular Formula: | C24 H26 F3 N O4 |
| Smiles: | CCCCN(C)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1ccc(CC)cc1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 6.0095 |
| logD: | 5.1261 |
| logSw: | -5.2455 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.941 |
| InChI Key: | NJPHICWAMABCMM-UHFFFAOYSA-N |