N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide--hydrogen chloride (1/2)
Chemical Structure Depiction of
N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide--hydrogen chloride (1/2)
N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | D305-0331 |
| Compound Name: | N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide--hydrogen chloride (1/2) |
| Molecular Weight: | 553.49 |
| Molecular Formula: | C25 H32 N6 O4 |
| Salt: | 2HCl |
| Smiles: | CCN1CCN(CC1)Cc1nc2cc(ccc2n1C(C)C)NC(COc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.306 |
| logD: | 2.1953 |
| logSw: | -3.5954 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.518 |
| InChI Key: | ZLBPOLNZLFWJIQ-UHFFFAOYSA-N |