ethyl 4-{[1-methyl-5-(3-methylbutanamido)-1H-benzimidazol-2-yl]methyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[1-methyl-5-(3-methylbutanamido)-1H-benzimidazol-2-yl]methyl}piperazine-1-carboxylate
ethyl 4-{[1-methyl-5-(3-methylbutanamido)-1H-benzimidazol-2-yl]methyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | D305-2836 |
| Compound Name: | ethyl 4-{[1-methyl-5-(3-methylbutanamido)-1H-benzimidazol-2-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C21 H31 N5 O3 |
| Smiles: | CCOC(N1CCN(CC1)Cc1nc2cc(ccc2n1C)NC(CC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6284 |
| logD: | 2.0342 |
| logSw: | -3.0696 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.887 |
| InChI Key: | MLSPZJICKSCZHX-UHFFFAOYSA-N |