N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-2-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-2-nitrobenzamide
N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | D332-0130 |
| Compound Name: | N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-2-nitrobenzamide |
| Molecular Weight: | 435.53 |
| Molecular Formula: | C24 H29 N5 O3 |
| Smiles: | CC(C)n1c2ccc(cc2nc1CN1CCCCCC1)NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3796 |
| logD: | 4.207 |
| logSw: | -4.1958 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.726 |
| InChI Key: | STLWCRQIYPGGDG-UHFFFAOYSA-N |