2-({4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-5-[(2-chlorophenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-({4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-5-[(2-chlorophenyl)methoxy]-4H-pyran-4-one
2-({4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-5-[(2-chlorophenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V031-2659 |
| Compound Name: | 2-({4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-5-[(2-chlorophenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 574.91 |
| Molecular Formula: | C26 H21 Cl F6 N2 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccccc1[Cl])=O)C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5699 |
| logD: | 4.5696 |
| logSw: | -4.5542 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.339 |
| InChI Key: | HLJJAXGYNUTOKV-UHFFFAOYSA-N |