8-[(diethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(diethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-[(diethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3232-1897 |
| Compound Name: | 8-[(diethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 391.39 |
| Molecular Formula: | C21 H20 F3 N O3 |
| Smiles: | CCN(CC)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1ccccc1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.4442 |
| logD: | 3.3983 |
| logSw: | -4.0851 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.943 |
| InChI Key: | XAIKVBJJAGTVAY-UHFFFAOYSA-N |