N-{1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide
Chemical Structure Depiction of
N-{1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide
N-{1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | D305-0765 |
| Compound Name: | N-{1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide |
| Molecular Weight: | 450.5 |
| Molecular Formula: | C23 H26 N6 O4 |
| Smiles: | CCC(N1CCN(CC1)Cc1nc2cc(ccc2n1C)NC(c1ccccc1[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9844 |
| logD: | 1.9049 |
| logSw: | -3.0565 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.33 |
| InChI Key: | RQKSPHRAQHECME-UHFFFAOYSA-N |