N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-nitrobenzamide
N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | D305-0203 |
| Compound Name: | N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-nitrobenzamide |
| Molecular Weight: | 422.49 |
| Molecular Formula: | C22 H26 N6 O3 |
| Smiles: | CCN1CCN(CC1)Cc1nc2cc(ccc2n1C)NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1439 |
| logD: | 1.0331 |
| logSw: | -3.1359 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.666 |
| InChI Key: | ZLCQMHPFNNJDTR-UHFFFAOYSA-N |