ethyl 4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | C722-0567 |
| Compound Name: | ethyl 4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 372.42 |
| Molecular Formula: | C20 H24 N2 O5 |
| Smiles: | CCn1c(C)c(C(NCc2ccc3c(c2)OCO3)=O)c(C)c1C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.0029 |
| logD: | 3.0029 |
| logSw: | -3.1886 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.244 |
| InChI Key: | VMDGFHTZPFZUJS-UHFFFAOYSA-N |