8-{[cyclohexyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-{[cyclohexyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-{[cyclohexyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5596-0207 |
| Compound Name: | 8-{[cyclohexyl(methyl)amino]methyl}-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 461.48 |
| Molecular Formula: | C25 H26 F3 N O4 |
| Smiles: | Cc1cccc(c1)OC1=C(C(F)(F)F)Oc2c(ccc(c2CN(C)C2CCCCC2)O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 5.9691 |
| logD: | 5.0982 |
| logSw: | -5.1738 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.635 |
| InChI Key: | QKZSQDSXJAPQGI-UHFFFAOYSA-N |