2-{[4-(1-tert-butyl-3-methyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(1-tert-butyl-3-methyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-(1-tert-butyl-3-methyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V007-1577 |
| Compound Name: | 2-{[4-(1-tert-butyl-3-methyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 532.56 |
| Molecular Formula: | C27 H31 F3 N4 O4 |
| Smiles: | Cc1cc(C(N2CCN(CC2)CC2=CC(C(=CO2)OCc2ccc(cc2)C(F)(F)F)=O)=O)n(C(C)(C)C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9671 |
| logD: | 2.9668 |
| logSw: | -3.0844 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.207 |
| InChI Key: | MAOBPMAUZLBKRA-UHFFFAOYSA-N |