3-[([1,1'-biphenyl]-4-yl)oxy]-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-[([1,1'-biphenyl]-4-yl)oxy]-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-[([1,1'-biphenyl]-4-yl)oxy]-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3931-2239 |
| Compound Name: | 3-[([1,1'-biphenyl]-4-yl)oxy]-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 524.54 |
| Molecular Formula: | C29 H27 F3 N2 O4 |
| Smiles: | CCN1CCN(CC1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1ccc(cc1)c1ccccc1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 5.5722 |
| logD: | 4.6405 |
| logSw: | -5.4398 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.845 |
| InChI Key: | RBTSRNMLVNGWJY-UHFFFAOYSA-N |