N-{1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
N-{1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | D305-0239 |
| Compound Name: | N-{1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C23 H28 N6 O3 |
| Smiles: | CCN1CCN(CC1)Cc1nc2cc(ccc2n1CC)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0407 |
| logD: | 1.9299 |
| logSw: | -3.3338 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.882 |
| InChI Key: | JDSWJSWFPZNAKL-UHFFFAOYSA-N |