3-(2-bromophenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(2-bromophenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(2-bromophenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3453-0669 |
| Compound Name: | 3-(2-bromophenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 513.31 |
| Molecular Formula: | C22 H20 Br F3 N2 O4 |
| Smiles: | CN1CCN(CC1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1ccccc1[Br])=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.027 |
| logD: | 3.2281 |
| logSw: | -4.0195 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.143 |
| InChI Key: | PTCZQZLXOVPASA-UHFFFAOYSA-N |