ethyl 4-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}piperidine-1-sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}piperidine-1-sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
ethyl 4-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}piperidine-1-sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G070-0073 |
| Compound Name: | ethyl 4-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}piperidine-1-sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 491.56 |
| Molecular Formula: | C23 H29 N3 O7 S |
| Smiles: | CCOC(c1c(c(C)[nH]c1C)S(N1CCC(CC1)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8831 |
| logD: | 1.8831 |
| logSw: | -2.7055 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.02 |
| InChI Key: | PZKACRBVSPCGLE-UHFFFAOYSA-N |