ethyl N-(4-{[5-(dimethylcarbamoyl)-1-ethyl-1H-benzimidazol-2-yl]methyl}piperazine-1-carbonyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-(4-{[5-(dimethylcarbamoyl)-1-ethyl-1H-benzimidazol-2-yl]methyl}piperazine-1-carbonyl)-beta-alaninate
ethyl N-(4-{[5-(dimethylcarbamoyl)-1-ethyl-1H-benzimidazol-2-yl]methyl}piperazine-1-carbonyl)-beta-alaninate
Compound characteristics
| Compound ID: | L277-0250 |
| Compound Name: | ethyl N-(4-{[5-(dimethylcarbamoyl)-1-ethyl-1H-benzimidazol-2-yl]methyl}piperazine-1-carbonyl)-beta-alaninate |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C23 H34 N6 O4 |
| Smiles: | CCn1c2ccc(cc2nc1CN1CCN(CC1)C(NCCC(=O)OCC)=O)C(N(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 0.418 |
| logD: | 0.336 |
| logSw: | -2.1508 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.744 |
| InChI Key: | GJFGDQWEMLVWGG-UHFFFAOYSA-N |