[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl][3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
Chemical Structure Depiction of
[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl][3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl][3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
Compound characteristics
| Compound ID: | E687-0256 |
| Compound Name: | [4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl][3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone |
| Molecular Weight: | 509.44 |
| Molecular Formula: | C20 H21 Br N4 O3 S2 |
| Smiles: | Cc1ccc(cc1C)c1cc(C(N2CCN(CC2)S(c2ccc(s2)[Br])(=O)=O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 4.53 |
| logD: | 4.5295 |
| logSw: | -4.1592 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.914 |
| InChI Key: | IFYJJOJXUUJGCC-UHFFFAOYSA-N |