3-(3,4-dimethoxyphenyl)-8-[(dimethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-8-[(dimethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(3,4-dimethoxyphenyl)-8-[(dimethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3643-2343 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-8-[(dimethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 423.39 |
| Molecular Formula: | C21 H20 F3 N O5 |
| Smiles: | CN(C)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1ccc(c(c1)OC)OC)=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.2334 |
| logD: | 2.4567 |
| logSw: | -3.4584 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.658 |
| InChI Key: | RHCMKAFISRPRJH-UHFFFAOYSA-N |