3-(2-chlorophenyl)-1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}prop-2-en-1-one
Chemical Structure Depiction of
3-(2-chlorophenyl)-1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}prop-2-en-1-one
3-(2-chlorophenyl)-1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}prop-2-en-1-one
Compound characteristics
| Compound ID: | F897-0957 |
| Compound Name: | 3-(2-chlorophenyl)-1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}prop-2-en-1-one |
| Molecular Weight: | 450.99 |
| Molecular Formula: | C21 H27 Cl N4 O3 S |
| Smiles: | CC(C)n1c(C)c(c(C)n1)S(N1CCN(CC1)C(/C=C/c1ccccc1[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6339 |
| logD: | 2.6339 |
| logSw: | -3.2818 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.9 |
| InChI Key: | TUFLKZGIHZMOIB-UHFFFAOYSA-N |