ethyl N-[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]-beta-alaninate
ethyl N-[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]-beta-alaninate
Compound characteristics
| Compound ID: | C700-1683 |
| Compound Name: | ethyl N-[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]-beta-alaninate |
| Molecular Weight: | 343.42 |
| Molecular Formula: | C19 H25 N3 O3 |
| Smiles: | CCOC(CCNC(NCc1cccn1Cc1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5784 |
| logD: | 2.5784 |
| logSw: | -2.7199 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.528 |
| InChI Key: | BKVLJGLFLGDZHJ-UHFFFAOYSA-N |