[4-(4-tert-butylbenzene-1-sulfonyl)piperazin-1-yl][3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
Chemical Structure Depiction of
[4-(4-tert-butylbenzene-1-sulfonyl)piperazin-1-yl][3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
[4-(4-tert-butylbenzene-1-sulfonyl)piperazin-1-yl][3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
Compound characteristics
| Compound ID: | E687-0319 |
| Compound Name: | [4-(4-tert-butylbenzene-1-sulfonyl)piperazin-1-yl][3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methanone |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C26 H32 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)c1cc(C(N2CCN(CC2)S(c2ccc(cc2)C(C)(C)C)(=O)=O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 5.3025 |
| logD: | 5.302 |
| logSw: | -5.298 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.019 |
| InChI Key: | XRMXUKFNOVGWGG-UHFFFAOYSA-N |