1-(4-{4-[2,5-dimethyl-4-(3-methyl-1H-pyrazol-5-yl)thiophene-3-sulfonyl]piperazin-1-yl}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{4-[2,5-dimethyl-4-(3-methyl-1H-pyrazol-5-yl)thiophene-3-sulfonyl]piperazin-1-yl}phenyl)ethan-1-one
1-(4-{4-[2,5-dimethyl-4-(3-methyl-1H-pyrazol-5-yl)thiophene-3-sulfonyl]piperazin-1-yl}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | M332-0116 |
| Compound Name: | 1-(4-{4-[2,5-dimethyl-4-(3-methyl-1H-pyrazol-5-yl)thiophene-3-sulfonyl]piperazin-1-yl}phenyl)ethan-1-one |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C22 H26 N4 O3 S2 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)S(c1c(c2cc(C)n[nH]2)c(C)sc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3173 |
| logD: | 3.3169 |
| logSw: | -3.6389 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.351 |
| InChI Key: | WPPHDUNBVYMMCU-UHFFFAOYSA-N |