8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3793-3119 |
| Compound Name: | 8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 462.47 |
| Molecular Formula: | C24 H25 F3 N2 O4 |
| Smiles: | CCN1CCN(CC1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1cccc(C)c1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.2588 |
| logD: | 3.3271 |
| logSw: | -4.0785 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.117 |
| InChI Key: | IKHILEKZBAFYOM-UHFFFAOYSA-N |