1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-3-(4-methylbenzene-1-sulfonyl)propan-1-one
Chemical Structure Depiction of
1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-3-(4-methylbenzene-1-sulfonyl)propan-1-one
1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-3-(4-methylbenzene-1-sulfonyl)propan-1-one
Compound characteristics
| Compound ID: | F897-0949 |
| Compound Name: | 1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-3-(4-methylbenzene-1-sulfonyl)propan-1-one |
| Molecular Weight: | 496.65 |
| Molecular Formula: | C22 H32 N4 O5 S2 |
| Smiles: | CC(C)n1c(C)c(c(C)n1)S(N1CCN(CC1)C(CCS(c1ccc(C)cc1)(=O)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1715 |
| logD: | 1.1715 |
| logSw: | -2.2741 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.936 |
| InChI Key: | GLDIVRFCDGIIHY-UHFFFAOYSA-N |