3-(4-methylphenyl)-1-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]prop-2-en-1-one
Chemical Structure Depiction of
3-(4-methylphenyl)-1-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]prop-2-en-1-one
3-(4-methylphenyl)-1-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]prop-2-en-1-one
Compound characteristics
| Compound ID: | F897-0663 |
| Compound Name: | 3-(4-methylphenyl)-1-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]prop-2-en-1-one |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | Cc1ccc(/C=C/C(N2CCN(CC2)S(c2c(C)nn(C)c2C)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.3945 |
| logD: | 1.3945 |
| logSw: | -2.2629 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.717 |
| InChI Key: | PXYBEZFUKJQCSS-UHFFFAOYSA-N |