ethyl 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
ethyl 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1H-pyrazole-5-carboxylate
ethyl 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1H-pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | G695-0103 |
| Compound Name: | ethyl 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1H-pyrazole-5-carboxylate |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C18 H22 N4 O6 S |
| Smiles: | CCOC(c1cc(n[nH]1)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7656 |
| logD: | 1.6401 |
| logSw: | -2.7479 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.895 |
| InChI Key: | FGYYYLMUZVQGHQ-UHFFFAOYSA-N |