1-[4-(1-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-[4-(1-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one
1-[4-(1-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | F897-0067 |
| Compound Name: | 1-[4-(1-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one |
| Molecular Weight: | 478.61 |
| Molecular Formula: | C26 H30 N4 O3 S |
| Smiles: | Cc1ccc(/C=C/C(N2CCN(CC2)S(c2c(C)nn(Cc3ccccc3)c2C)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1077 |
| logD: | 3.1077 |
| logSw: | -3.2063 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.16 |
| InChI Key: | QXSSINBNDCCAFJ-UHFFFAOYSA-N |