2-{[4-(1-tert-butyl-3-methyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methyl}-5-[(4-tert-butylphenyl)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-tert-butylphenyl)methoxy]-4H-pyran-4-one
2-{[4-(1-tert-butyl-3-methyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4381 |
| Compound Name: | 2-{[4-(1-tert-butyl-3-methyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 520.67 |
| Molecular Formula: | C30 H40 N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1cc(C(N2CCN(CC2)CC2=CC(C(=CO2)OCc2ccc(cc2)C(C)(C)C)=O)=O)n(C(C)(C)C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8888 |
| logD: | 3.8885 |
| logSw: | -3.8574 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.207 |
| InChI Key: | WJSMXOFJVXFMNP-UHFFFAOYSA-N |