8-{[butyl(methyl)amino]methyl}-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-{[butyl(methyl)amino]methyl}-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-{[butyl(methyl)amino]methyl}-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3453-0776 |
| Compound Name: | 8-{[butyl(methyl)amino]methyl}-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 435.44 |
| Molecular Formula: | C23 H24 F3 N O4 |
| Smiles: | CCCCN(C)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1ccccc1OC)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.8154 |
| logD: | 3.932 |
| logSw: | -4.2707 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.235 |
| InChI Key: | OGSACWKOXLQKCZ-UHFFFAOYSA-N |