ethyl N-[4-(1-ethyl-1H-benzimidazol-2-yl)piperazine-1-carbonyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[4-(1-ethyl-1H-benzimidazol-2-yl)piperazine-1-carbonyl]-beta-alaninate
ethyl N-[4-(1-ethyl-1H-benzimidazol-2-yl)piperazine-1-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | L053-0083 |
| Compound Name: | ethyl N-[4-(1-ethyl-1H-benzimidazol-2-yl)piperazine-1-carbonyl]-beta-alaninate |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C19 H27 N5 O3 |
| Smiles: | [H]c1cc2c(cc1[H])n(CC)c(n2)N1CCN(CC1)C(NCCC(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6035 |
| logD: | 2.5613 |
| logSw: | -2.7779 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.027 |
| InChI Key: | QNYGGPZRSVUVKY-UHFFFAOYSA-N |