N-{1-butyl-2-[(morpholin-4-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{1-butyl-2-[(morpholin-4-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
N-{1-butyl-2-[(morpholin-4-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | D305-1702 |
| Compound Name: | N-{1-butyl-2-[(morpholin-4-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide |
| Molecular Weight: | 437.5 |
| Molecular Formula: | C23 H27 N5 O4 |
| Smiles: | CCCCn1c2ccc(cc2nc1CN1CCOCC1)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6582 |
| logD: | 3.6521 |
| logSw: | -3.7006 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.507 |
| InChI Key: | JOMVBABBELIZFA-UHFFFAOYSA-N |