methyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
methyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G070-1444 |
| Compound Name: | methyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C19 H23 N3 O6 S |
| Smiles: | Cn1cc(cc1C(=O)OC)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1979 |
| logD: | 1.1027 |
| logSw: | -2.4391 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.089 |
| InChI Key: | MIYFEZYLAKONLC-UHFFFAOYSA-N |