N-(3,4-dimethoxyphenyl)-2-nitro-2-(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-nitro-2-(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetamide
N-(3,4-dimethoxyphenyl)-2-nitro-2-(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetamide
Compound characteristics
| Compound ID: | 6881-0874 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-nitro-2-(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetamide |
| Molecular Weight: | 401.33 |
| Molecular Formula: | C17 H15 N5 O7 |
| Smiles: | COc1ccc(cc1OC)NC(\C(=C1/Nc2ccc(cc2N1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4458 |
| logD: | 2.3278 |
| logSw: | -3.0606 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 126.849 |
| InChI Key: | MRODXWHWKMEYHX-UHFFFAOYSA-N |