N-{1-ethyl-2-[(morpholin-4-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide
Chemical Structure Depiction of
N-{1-ethyl-2-[(morpholin-4-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide
N-{1-ethyl-2-[(morpholin-4-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | D305-1590 |
| Compound Name: | N-{1-ethyl-2-[(morpholin-4-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C21 H23 N5 O4 |
| Smiles: | CCn1c2ccc(cc2nc1CN1CCOCC1)NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5255 |
| logD: | 2.4938 |
| logSw: | -3.1592 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.952 |
| InChI Key: | PTOCXXLEBNEJHW-UHFFFAOYSA-N |