ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)carbamoyl]piperidine-1-sulfonyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)carbamoyl]piperidine-1-sulfonyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)carbamoyl]piperidine-1-sulfonyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G070-2023 |
| Compound Name: | ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)carbamoyl]piperidine-1-sulfonyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C22 H27 N3 O7 S |
| Smiles: | CCOC(c1c(c(C)[nH]c1C)S(N1CCC(CC1)C(Nc1ccc2c(c1)OCO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1143 |
| logD: | 2.1141 |
| logSw: | -3.008 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.698 |
| InChI Key: | MSLQQMFHBFKVMI-UHFFFAOYSA-N |