N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-4-nitrobenzamide
N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | D332-0128 |
| Compound Name: | N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-4-nitrobenzamide |
| Molecular Weight: | 435.53 |
| Molecular Formula: | C24 H29 N5 O3 |
| Smiles: | CC(C)n1c2ccc(cc2nc1CN1CCCCCC1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6166 |
| logD: | 4.4746 |
| logSw: | -4.2603 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.027 |
| InChI Key: | LUTUJDNLMBYFTC-UHFFFAOYSA-N |