2-{[4-(2,6-dichlorobenzoyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(2,6-dichlorobenzoyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-(2,6-dichlorobenzoyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4064 |
| Compound Name: | 2-{[4-(2,6-dichlorobenzoyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 541.35 |
| Molecular Formula: | C25 H21 Cl2 F3 N2 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccc(cc1)C(F)(F)F)=O)C(c1c(cccc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1793 |
| logD: | 4.179 |
| logSw: | -4.7455 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.339 |
| InChI Key: | BASOEVVGIFZNRK-UHFFFAOYSA-N |