1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophene-3-sulfonyl]piperazine
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophene-3-sulfonyl]piperazine
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophene-3-sulfonyl]piperazine
Compound characteristics
| Compound ID: | M333-0156 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophene-3-sulfonyl]piperazine |
| Molecular Weight: | 460.57 |
| Molecular Formula: | C21 H24 N4 O4 S2 |
| Smiles: | Cc1cc(c2cc(c(C)s2)S(N2CCN(CC2)Cc2ccc3c(c2)OCO3)(=O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2247 |
| logD: | 3.1296 |
| logSw: | -3.3034 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.92 |
| InChI Key: | MLIZMWUIIRFXEX-UHFFFAOYSA-N |