2-{[4-(1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]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-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-(1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-9852 |
| Compound Name: | 2-{[4-(1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 586.75 |
| Molecular Formula: | C33 H38 N4 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(C(N2CCN(CC2)CC2=CC(C(=CO2)OCc2ccc(cc2)SC)=O)=O)n(Cc2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9555 |
| logD: | 4.9552 |
| logSw: | -4.8069 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.298 |
| InChI Key: | OCPLLQANWNJLDX-UHFFFAOYSA-N |