8-[(azepan-1-yl)methyl]-3-(2-bromophenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(azepan-1-yl)methyl]-3-(2-bromophenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-[(azepan-1-yl)methyl]-3-(2-bromophenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3453-0671 |
| Compound Name: | 8-[(azepan-1-yl)methyl]-3-(2-bromophenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 512.32 |
| Molecular Formula: | C23 H21 Br F3 N O4 |
| Smiles: | C1CCCN(CC1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1ccccc1[Br])=O)O |
| Stereo: | ACHIRAL |
| logP: | 5.7166 |
| logD: | 4.8055 |
| logSw: | -5.541 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.998 |
| InChI Key: | UJMCMOPBTJKYJL-UHFFFAOYSA-N |