N-(2-cyano-4,5-diethoxyphenyl)-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-(2-cyano-4,5-diethoxyphenyl)-3,5-dinitrobenzamide
N-(2-cyano-4,5-diethoxyphenyl)-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 8014-2914 |
| Compound Name: | N-(2-cyano-4,5-diethoxyphenyl)-3,5-dinitrobenzamide |
| Molecular Weight: | 400.35 |
| Molecular Formula: | C18 H16 N4 O7 |
| Smiles: | CCOc1cc(C#N)c(cc1OCC)NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5692 |
| logD: | 0.0644 |
| logSw: | -3.0547 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.872 |
| InChI Key: | SOYHVXJJUBZAAR-UHFFFAOYSA-N |