3-(2-bromophenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(2-bromophenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(2-bromophenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3453-0769 |
| Compound Name: | 3-(2-bromophenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 527.34 |
| Molecular Formula: | C23 H22 Br F3 N2 O4 |
| Smiles: | CCN1CCN(CC1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1ccccc1[Br])=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.3718 |
| logD: | 3.4401 |
| logSw: | -4.0867 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.203 |
| InChI Key: | NAOBZXUPMGUBDO-UHFFFAOYSA-N |