8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(3-methoxyphenoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(3-methoxyphenoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(3-methoxyphenoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-2799 |
| Compound Name: | 8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(3-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)Oc1cccc(c1)OC)=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.815 |
| logD: | 2.8834 |
| logSw: | -3.8547 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.66 |
| InChI Key: | LAPKHDJOWSOPDR-UHFFFAOYSA-N |