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 |