ethyl 4-(benzylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-(benzylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-(benzylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | C722-0087 |
| Compound Name: | ethyl 4-(benzylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 300.36 |
| Molecular Formula: | C17 H20 N2 O3 |
| Smiles: | [H]n1c(C)c(C(NCc2ccccc2)=O)c(C)c1C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.6547 |
| logD: | 2.6546 |
| logSw: | -2.7104 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.387 |
| InChI Key: | USXIDZPNKYTGEC-UHFFFAOYSA-N |