ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E137-0033 |
| Compound Name: | ethyl 4-[benzyl(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 314.38 |
| Molecular Formula: | C18 H22 N2 O3 |
| Smiles: | CCOC(c1c(C)c(C(N(C)Cc2ccccc2)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.928 |
| logD: | 2.928 |
| logSw: | -3.0649 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.124 |
| InChI Key: | OKSAQDSXCHDNCD-UHFFFAOYSA-N |