methyl 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-3-ethyl-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-3-ethyl-1H-pyrazole-4-carboxylate
methyl 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-3-ethyl-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | F421-3307 |
| Compound Name: | methyl 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-3-ethyl-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C19 H24 N4 O6 S |
| Smiles: | CCc1c(C(=O)OC)c([nH]n1)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5929 |
| logD: | 1.3317 |
| logSw: | -2.7006 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.352 |
| InChI Key: | BXGDEIHQTXOVSD-UHFFFAOYSA-N |