1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-3-(5-methylfuran-2-yl)prop-2-en-1-one
Chemical Structure Depiction of
1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-3-(5-methylfuran-2-yl)prop-2-en-1-one
1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-3-(5-methylfuran-2-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | F897-1061 |
| Compound Name: | 1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-3-(5-methylfuran-2-yl)prop-2-en-1-one |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C20 H28 N4 O4 S |
| Smiles: | CC(C)n1c(C)c(c(C)n1)S(N1CCN(CC1)C(/C=C/c1ccc(C)o1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.781 |
| logD: | 1.781 |
| logSw: | -2.3901 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.163 |
| InChI Key: | GOZJHDMGDRNNKR-UHFFFAOYSA-N |