N~1~,N~3~-bis(4-cyanophenyl)-5-nitrobenzene-1,3-dicarboxamide
Chemical Structure Depiction of
N~1~,N~3~-bis(4-cyanophenyl)-5-nitrobenzene-1,3-dicarboxamide
N~1~,N~3~-bis(4-cyanophenyl)-5-nitrobenzene-1,3-dicarboxamide
Compound characteristics
| Compound ID: | Y032-0521 |
| Compound Name: | N~1~,N~3~-bis(4-cyanophenyl)-5-nitrobenzene-1,3-dicarboxamide |
| Molecular Weight: | 411.38 |
| Molecular Formula: | C22 H13 N5 O4 |
| Smiles: | C(c1ccc(cc1)NC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1ccc(C#N)cc1)=O)=O)#N |
| Stereo: | ACHIRAL |
| logP: | 3.5357 |
| logD: | 2.9265 |
| logSw: | -3.9178 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.915 |
| InChI Key: | VUVBBSIJFDGJQG-UHFFFAOYSA-N |