2-({4-[1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl}methyl)-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-({4-[1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl}methyl)-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
2-({4-[1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl}methyl)-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V011-9440 |
| Compound Name: | 2-({4-[1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl}methyl)-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 606.52 |
| Molecular Formula: | C29 H24 F6 N4 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccc(cc1)C(F)(F)F)=O)C(c1cnn(c2ccccc2)c1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3601 |
| logD: | 4.3598 |
| logSw: | -4.4625 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.434 |
| InChI Key: | VKYORDIEJIMDGP-UHFFFAOYSA-N |