N-{2-[(morpholin-4-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(morpholin-4-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-3-nitrobenzamide
N-{2-[(morpholin-4-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | D305-1627 |
| Compound Name: | N-{2-[(morpholin-4-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-3-nitrobenzamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C22 H25 N5 O4 |
| Smiles: | CCCn1c2ccc(cc2nc1CN1CCOCC1)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2401 |
| logD: | 3.234 |
| logSw: | -3.3844 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.507 |
| InChI Key: | KDXYFQTWNYLIPJ-UHFFFAOYSA-N |