8-{[cyclohexyl(methyl)amino]methyl}-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-{[cyclohexyl(methyl)amino]methyl}-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-{[cyclohexyl(methyl)amino]methyl}-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3453-0778 |
| Compound Name: | 8-{[cyclohexyl(methyl)amino]methyl}-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 461.48 |
| Molecular Formula: | C25 H26 F3 N O4 |
| Smiles: | CN(Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1ccccc1OC)=O)O)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.3004 |
| logD: | 4.4295 |
| logSw: | -4.9452 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.928 |
| InChI Key: | GCPGIZBTPOEFOE-UHFFFAOYSA-N |