8-[(azepan-1-yl)methyl]-3-(3-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(azepan-1-yl)methyl]-3-(3-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-[(azepan-1-yl)methyl]-3-(3-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5977-0103 |
| Compound Name: | 8-[(azepan-1-yl)methyl]-3-(3-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 451.87 |
| Molecular Formula: | C23 H21 Cl F3 N O3 |
| Smiles: | C1CCCN(CC1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1cccc(c1)[Cl])=O)O |
| Stereo: | ACHIRAL |
| logP: | 5.8002 |
| logD: | 4.8891 |
| logSw: | -5.6474 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.574 |
| InChI Key: | JVMBPWFYVSUKDT-UHFFFAOYSA-N |