5-[(4-tert-butylphenyl)methoxy]-2-({4-[1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl}methyl)-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methoxy]-2-({4-[1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl}methyl)-4H-pyran-4-one
5-[(4-tert-butylphenyl)methoxy]-2-({4-[1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl}methyl)-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-0206 |
| Compound Name: | 5-[(4-tert-butylphenyl)methoxy]-2-({4-[1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl}methyl)-4H-pyran-4-one |
| Molecular Weight: | 594.63 |
| Molecular Formula: | C32 H33 F3 N4 O4 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCN(CC3)C(c3cnn(c4ccccc4)c3C(F)(F)F)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2819 |
| logD: | 5.2815 |
| logSw: | -5.1683 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.434 |
| InChI Key: | WEKQZNWXSNBYQN-UHFFFAOYSA-N |