2-{[4-(1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
2-{[4-(1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-0132 |
| Compound Name: | 2-{[4-(1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 568.72 |
| Molecular Formula: | C34 H40 N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)C(c3cc(C(C)(C)C)nn3Cc3ccccc3)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5367 |
| logD: | 5.5363 |
| logSw: | -5.4466 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.298 |
| InChI Key: | IWWGEOJXKCTZKY-UHFFFAOYSA-N |