8-[(4-benzylpiperazin-1-yl)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(4-benzylpiperazin-1-yl)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-[(4-benzylpiperazin-1-yl)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5847-0267 |
| Compound Name: | 8-[(4-benzylpiperazin-1-yl)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 494.51 |
| Molecular Formula: | C28 H25 F3 N2 O3 |
| Smiles: | C1CN(CCN1Cc1ccccc1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1ccccc1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.8617 |
| logD: | 4.5206 |
| logSw: | -4.5164 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.783 |
| InChI Key: | NMHHSVABUCDNQN-UHFFFAOYSA-N |