ethyl 3,5-dimethyl-4-{[(pyridin-2-yl)methyl]carbamoyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 3,5-dimethyl-4-{[(pyridin-2-yl)methyl]carbamoyl}-1H-pyrrole-2-carboxylate
ethyl 3,5-dimethyl-4-{[(pyridin-2-yl)methyl]carbamoyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | C722-0098 |
| Compound Name: | ethyl 3,5-dimethyl-4-{[(pyridin-2-yl)methyl]carbamoyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 301.34 |
| Molecular Formula: | C16 H19 N3 O3 |
| Smiles: | [H]n1c(C)c(C(NCc2ccccn2)=O)c(C)c1C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 1.7448 |
| logD: | 1.7446 |
| logSw: | -2.0344 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.93 |
| InChI Key: | XIMSMJVZSMSRPR-UHFFFAOYSA-N |