8-[(azepan-1-yl)methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(azepan-1-yl)methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-[(azepan-1-yl)methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3130-1423 |
| Compound Name: | 8-[(azepan-1-yl)methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C24 H24 F3 N O4 |
| Smiles: | COc1ccccc1C1=C(C(F)(F)F)Oc2c(ccc(c2CN2CCCCCC2)O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.9349 |
| logD: | 4.0238 |
| logSw: | -4.262 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.204 |
| InChI Key: | KJEXVWOIFYUOMU-UHFFFAOYSA-N |