8-[(diethylamino)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(diethylamino)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-[(diethylamino)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3643-2344 |
| Compound Name: | 8-[(diethylamino)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 451.44 |
| Molecular Formula: | C23 H24 F3 N O5 |
| Smiles: | CCN(CC)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1ccc(c(c1)OC)OC)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.1528 |
| logD: | 3.1069 |
| logSw: | -4.1061 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.204 |
| InChI Key: | PVDGCCSFBCNVHP-UHFFFAOYSA-N |