8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3643-2356 |
| Compound Name: | 8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 477.48 |
| Molecular Formula: | C25 H26 F3 N O5 |
| Smiles: | COc1ccc(cc1OC)C1=C(C(F)(F)F)Oc2c(ccc(c2CN2CCCCCC2)O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.7617 |
| logD: | 3.8506 |
| logSw: | -4.3108 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.834 |
| InChI Key: | GFKQAPSQXLESLL-UHFFFAOYSA-N |