N-{1-ethyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{1-ethyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
N-{1-ethyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | D305-0800 |
| Compound Name: | N-{1-ethyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide |
| Molecular Weight: | 464.52 |
| Molecular Formula: | C24 H28 N6 O4 |
| Smiles: | CCC(N1CCN(CC1)Cc1nc2cc(ccc2n1CC)NC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8811 |
| logD: | 2.8736 |
| logSw: | -3.3345 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.545 |
| InChI Key: | KZYHACGFXZUUGX-UHFFFAOYSA-N |