2-({4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-({4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
2-({4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-0752 |
| Compound Name: | 2-({4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 568.52 |
| Molecular Formula: | C28 H26 F6 N2 O4 |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)C(c3cc(cc(c3)C(F)(F)F)C(F)(F)F)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.3956 |
| logD: | 5.3953 |
| logSw: | -5.4647 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.339 |
| InChI Key: | TWPIAVAUOMIHGG-UHFFFAOYSA-N |