8-[(azepan-1-yl)methyl]-3-(2-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(azepan-1-yl)methyl]-3-(2-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-[(azepan-1-yl)methyl]-3-(2-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
Compound ID: | 3232-1892 |
Compound Name: | 8-[(azepan-1-yl)methyl]-3-(2-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)c1ccccc1[Cl])=O)O |
Stereo: | ACHIRAL |
logP: | 5.6045 |
logD: | 4.6934 |
logSw: | -5.5017 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 40.574 |
InChI Key: | DOQWHQSMIARCCM-UHFFFAOYSA-N |