N-{1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-4-nitrobenzamide
N-{1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | D305-0054 |
| Compound Name: | N-{1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-4-nitrobenzamide |
| Molecular Weight: | 422.49 |
| Molecular Formula: | C22 H26 N6 O3 |
| Smiles: | CCn1c2ccc(cc2nc1CN1CCN(C)CC1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6757 |
| logD: | 1.7047 |
| logSw: | -3.0333 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.822 |
| InChI Key: | MDUSOBOGDOPDMB-UHFFFAOYSA-N |