N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-ethyl-1H-benzimidazol-5-yl}-2-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-ethyl-1H-benzimidazol-5-yl}-2-nitrobenzamide
N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-ethyl-1H-benzimidazol-5-yl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | D305-0625 |
| Compound Name: | N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-ethyl-1H-benzimidazol-5-yl}-2-nitrobenzamide |
| Molecular Weight: | 450.5 |
| Molecular Formula: | C23 H26 N6 O4 |
| Smiles: | CCn1c2ccc(cc2nc1CN1CCN(CC1)C(C)=O)NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2629 |
| logD: | 2.2262 |
| logSw: | -3.1317 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.24 |
| InChI Key: | BKZLMSXBFBSXAB-UHFFFAOYSA-N |