ethyl N-(4-{[5-(dimethylcarbamoyl)-1-methyl-1H-benzimidazol-2-yl]methyl}piperazine-1-carbonyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-(4-{[5-(dimethylcarbamoyl)-1-methyl-1H-benzimidazol-2-yl]methyl}piperazine-1-carbonyl)-beta-alaninate
ethyl N-(4-{[5-(dimethylcarbamoyl)-1-methyl-1H-benzimidazol-2-yl]methyl}piperazine-1-carbonyl)-beta-alaninate
Compound characteristics
| Compound ID: | L277-0330 |
| Compound Name: | ethyl N-(4-{[5-(dimethylcarbamoyl)-1-methyl-1H-benzimidazol-2-yl]methyl}piperazine-1-carbonyl)-beta-alaninate |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C22 H32 N6 O4 |
| Smiles: | CCOC(CCNC(N1CCN(CC1)Cc1nc2cc(ccc2n1C)C(N(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2217 |
| logD: | -0.6663 |
| logSw: | -2.0275 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.829 |
| InChI Key: | MVBDTCZRPWUENQ-UHFFFAOYSA-N |