3-(3,5-dimethylphenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(3,5-dimethylphenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(3,5-dimethylphenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 4300-0462 |
| Compound Name: | 3-(3,5-dimethylphenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 476.5 |
| Molecular Formula: | C25 H27 F3 N2 O4 |
| Smiles: | CCN1CCN(CC1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1cc(C)cc(C)c1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.6362 |
| logD: | 3.7045 |
| logSw: | -4.2307 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.117 |
| InChI Key: | HZGGVGQQBZKOLA-UHFFFAOYSA-N |