3-(2-bromophenoxy)-8-[(diethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(2-bromophenoxy)-8-[(diethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(2-bromophenoxy)-8-[(diethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 4300-0181 |
| Compound Name: | 3-(2-bromophenoxy)-8-[(diethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 486.28 |
| Molecular Formula: | C21 H19 Br F3 N O4 |
| Smiles: | CCN(CC)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1ccccc1[Br])=O)O |
| Stereo: | ACHIRAL |
| logP: | 5.1078 |
| logD: | 4.0619 |
| logSw: | -4.7928 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.367 |
| InChI Key: | UJIICRYFZKRMMW-UHFFFAOYSA-N |