3-(4-bromophenyl)-8-[(dimethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(4-bromophenyl)-8-[(dimethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(4-bromophenyl)-8-[(dimethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-1224 |
| Compound Name: | 3-(4-bromophenyl)-8-[(dimethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 442.23 |
| Molecular Formula: | C19 H15 Br F3 N O3 |
| Smiles: | CN(C)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1ccc(cc1)[Br])=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.4638 |
| logD: | 3.6871 |
| logSw: | -4.1566 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.397 |
| InChI Key: | HNPIVADSJGVXBX-UHFFFAOYSA-N |