[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl][3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
Chemical Structure Depiction of
[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl][3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl][3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
Compound characteristics
| Compound ID: | C590-0340 |
| Compound Name: | [4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl][3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone |
| Molecular Weight: | 505.39 |
| Molecular Formula: | C21 H21 Br N4 O4 S |
| Smiles: | COc1cccc(c1)c1cc(C(N2CCN(CC2)S(c2ccc(cc2)[Br])(=O)=O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9115 |
| logD: | 3.911 |
| logSw: | -4.0449 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.439 |
| InChI Key: | XSIUWUYBFMZSSI-UHFFFAOYSA-N |