N-{1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide
Chemical Structure Depiction of
N-{1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide
N-{1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide
Compound characteristics
| Compound ID: | D305-0073 |
| Compound Name: | N-{1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C23 H28 N6 O4 |
| Smiles: | CCn1c2ccc(cc2nc1CN1CCN(C)CC1)NC(COc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.71 |
| logD: | 1.739 |
| logSw: | -3.1713 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.107 |
| InChI Key: | ICMIHSBZXUNRNB-UHFFFAOYSA-N |