N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-benzimidazol-5-yl}-2-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-benzimidazol-5-yl}-2-nitrobenzamide
N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-benzimidazol-5-yl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | D332-0168 |
| Compound Name: | N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-benzimidazol-5-yl}-2-nitrobenzamide |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C25 H31 N5 O3 |
| Smiles: | CCCCn1c2ccc(cc2nc1CN1CCCCCC1)NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0039 |
| logD: | 4.4359 |
| logSw: | -4.4637 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.629 |
| InChI Key: | JDOKSWMEBIUINM-UHFFFAOYSA-N |