N-{2-[(4-benzylpiperazin-1-yl)methyl]-1-ethyl-1H-benzimidazol-5-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(4-benzylpiperazin-1-yl)methyl]-1-ethyl-1H-benzimidazol-5-yl}-3-nitrobenzamide
N-{2-[(4-benzylpiperazin-1-yl)methyl]-1-ethyl-1H-benzimidazol-5-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | D305-0411 |
| Compound Name: | N-{2-[(4-benzylpiperazin-1-yl)methyl]-1-ethyl-1H-benzimidazol-5-yl}-3-nitrobenzamide |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C28 H30 N6 O3 |
| Smiles: | CCn1c2ccc(cc2nc1CN1CCN(CC1)Cc1ccccc1)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1942 |
| logD: | 3.9231 |
| logSw: | -4.1222 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.885 |
| InChI Key: | DLTYUZOKSKJYFA-UHFFFAOYSA-N |