8-{[benzyl(ethyl)amino]methyl}-3-(2-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-{[benzyl(ethyl)amino]methyl}-3-(2-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-{[benzyl(ethyl)amino]methyl}-3-(2-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5847-0221 |
| Compound Name: | 8-{[benzyl(ethyl)amino]methyl}-3-(2-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 487.91 |
| Molecular Formula: | C26 H21 Cl F3 N O3 |
| Smiles: | CCN(Cc1ccccc1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1ccccc1[Cl])=O)O |
| Stereo: | ACHIRAL |
| logP: | 6.1935 |
| logD: | 5.803 |
| logSw: | -5.6192 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.946 |
| InChI Key: | GDEXOCBVYFUQOG-UHFFFAOYSA-N |