3-(2-chlorophenyl)-8-[(dimethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(2-chlorophenyl)-8-[(dimethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(2-chlorophenyl)-8-[(dimethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5596-0318 |
| Compound Name: | 3-(2-chlorophenyl)-8-[(dimethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 397.78 |
| Molecular Formula: | C19 H15 Cl F3 N O3 |
| Smiles: | CN(C)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1ccccc1[Cl])=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.0763 |
| logD: | 3.2996 |
| logSw: | -4.0357 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.397 |
| InChI Key: | JWHFEESSGPEHHV-UHFFFAOYSA-N |