ethyl 4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-1-benzyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-1-benzyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-1-benzyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | C722-1041 |
| Compound Name: | ethyl 4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-1-benzyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C25 H26 N2 O5 |
| Smiles: | CCOC(c1c(C)c(C(NCc2ccc3c(c2)OCO3)=O)c(C)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.167 |
| logD: | 4.167 |
| logSw: | -4.2954 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.248 |
| InChI Key: | LJHLEIUCSGTUBK-UHFFFAOYSA-N |