ethyl N-{[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}-beta-alaninate
Chemical Structure Depiction of
ethyl N-{[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}-beta-alaninate
ethyl N-{[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}-beta-alaninate
Compound characteristics
| Compound ID: | C800-0872 |
| Compound Name: | ethyl N-{[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}-beta-alaninate |
| Molecular Weight: | 329.4 |
| Molecular Formula: | C18 H23 N3 O3 |
| Smiles: | CCOC(CCNC(NCc1cccn1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9318 |
| logD: | 1.9318 |
| logSw: | -2.3806 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.528 |
| InChI Key: | JFXCUCIXLFQNHW-UHFFFAOYSA-N |