N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-[2-methyl-6-(propan-2-yl)phenoxy]acetamide--hydrogen chloride (1/2)
Chemical Structure Depiction of
N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-[2-methyl-6-(propan-2-yl)phenoxy]acetamide--hydrogen chloride (1/2)
N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-[2-methyl-6-(propan-2-yl)phenoxy]acetamide--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | D044-0102 |
| Compound Name: | N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-[2-methyl-6-(propan-2-yl)phenoxy]acetamide--hydrogen chloride (1/2) |
| Molecular Weight: | 550.53 |
| Molecular Formula: | C27 H35 N5 O3 |
| Salt: | 2HCl |
| Smiles: | CC(C)c1cccc(C)c1OCC(Nc1ccc2c(c1)nc(CN1CCN(CC1)C(C)=O)n2C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4927 |
| logD: | 2.8986 |
| logSw: | -3.6426 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.703 |
| InChI Key: | VJZDKNNJAGCCBO-UHFFFAOYSA-N |