8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-2801 |
| Compound Name: | 8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 478.47 |
| Molecular Formula: | C24 H25 F3 N2 O5 |
| Smiles: | CCN1CCN(CC1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1ccc(cc1)OC)=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.8359 |
| logD: | 2.9042 |
| logSw: | -3.746 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.66 |
| InChI Key: | NPXIFJCVJMVUEL-UHFFFAOYSA-N |