N-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
N-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | D305-0017 |
| Compound Name: | N-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C21 H24 N6 O3 |
| Smiles: | CN1CCN(CC1)Cc1nc2cc(ccc2n1C)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0563 |
| logD: | 1.0853 |
| logSw: | -2.9332 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.907 |
| InChI Key: | XEHUHNMPFFWESB-UHFFFAOYSA-N |