N-{2-[(4-benzoylpiperazin-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(4-benzoylpiperazin-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-4-nitrobenzamide
N-{2-[(4-benzoylpiperazin-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | D305-0479 |
| Compound Name: | N-{2-[(4-benzoylpiperazin-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-4-nitrobenzamide |
| Molecular Weight: | 498.54 |
| Molecular Formula: | C27 H26 N6 O4 |
| Smiles: | Cn1c2ccc(cc2nc1CN1CCN(CC1)C(c1ccccc1)=O)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9043 |
| logD: | 2.8555 |
| logSw: | -3.6031 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.886 |
| InChI Key: | JLKAOVAESODLFQ-UHFFFAOYSA-N |