[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl][3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
Chemical Structure Depiction of
[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl][3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl][3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
Compound characteristics
| Compound ID: | E687-0244 |
| Compound Name: | [4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl][3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone |
| Molecular Weight: | 503.42 |
| Molecular Formula: | C22 H23 Br N4 O3 S |
| Smiles: | Cc1ccc(cc1C)c1cc(C(N2CCN(CC2)S(c2ccc(cc2)[Br])(=O)=O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8353 |
| logD: | 4.8347 |
| logSw: | -4.5869 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.895 |
| InChI Key: | NHUPLLUMUAOJJN-UHFFFAOYSA-N |