N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-4-nitrobenzamide
N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | D305-0312 |
| Compound Name: | N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-4-nitrobenzamide |
| Molecular Weight: | 450.54 |
| Molecular Formula: | C24 H30 N6 O3 |
| Smiles: | CCN1CCN(CC1)Cc1nc2cc(ccc2n1C(C)C)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2718 |
| logD: | 2.161 |
| logSw: | -3.4913 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.232 |
| InChI Key: | YSBCPZHQCFCROZ-UHFFFAOYSA-N |