2-({4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-({4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
2-({4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4368 |
| Compound Name: | 2-({4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 586.55 |
| Molecular Formula: | C27 H24 F6 N2 O4 S |
| Salt: | not_available |
| Smiles: | CSc1ccc(COC2=COC(CN3CCN(CC3)C(c3cc(cc(c3)C(F)(F)F)C(F)(F)F)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8145 |
| logD: | 4.8141 |
| logSw: | -4.852 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.339 |
| InChI Key: | CZPXRFLPYMVRCL-UHFFFAOYSA-N |