8-[(azepan-1-yl)methyl]-3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(azepan-1-yl)methyl]-3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-[(azepan-1-yl)methyl]-3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 6197-0132 |
| Compound Name: | 8-[(azepan-1-yl)methyl]-3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 495.93 |
| Molecular Formula: | C25 H25 Cl F3 N O4 |
| Smiles: | Cc1cc(cc(C)c1[Cl])OC1=C(C(F)(F)F)Oc2c(ccc(c2CN2CCCCCC2)O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 6.7288 |
| logD: | 5.8177 |
| logSw: | -5.8918 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.911 |
| InChI Key: | HNYQVHVXAPXCPO-UHFFFAOYSA-N |