methyl N-{[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}-beta-alaninate
Chemical Structure Depiction of
methyl N-{[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}-beta-alaninate
methyl N-{[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}-beta-alaninate
Compound characteristics
| Compound ID: | G331-0062 |
| Compound Name: | methyl N-{[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}-beta-alaninate |
| Molecular Weight: | 315.37 |
| Molecular Formula: | C17 H21 N3 O3 |
| Smiles: | COC(CCNC(NCc1cccn1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4752 |
| logD: | 1.4752 |
| logSw: | -1.9241 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.948 |
| InChI Key: | HAYJLHJSWDJZAF-UHFFFAOYSA-N |