7-hydroxy-3-(3-methoxyphenoxy)-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
7-hydroxy-3-(3-methoxyphenoxy)-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
7-hydroxy-3-(3-methoxyphenoxy)-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-2806 |
| Compound Name: | 7-hydroxy-3-(3-methoxyphenoxy)-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 464.44 |
| Molecular Formula: | C23 H23 F3 N2 O5 |
| Smiles: | CN1CCN(CC1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1cccc(c1)OC)=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.4703 |
| logD: | 2.6714 |
| logSw: | -3.7712 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.6 |
| InChI Key: | JTHWRZQJFRREFK-UHFFFAOYSA-N |