N-(2-cyanophenyl)-4,5-dimethoxy-2-nitrobenzamide
Chemical Structure Depiction of
N-(2-cyanophenyl)-4,5-dimethoxy-2-nitrobenzamide
N-(2-cyanophenyl)-4,5-dimethoxy-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-0515 |
| Compound Name: | N-(2-cyanophenyl)-4,5-dimethoxy-2-nitrobenzamide |
| Molecular Weight: | 327.29 |
| Molecular Formula: | C16 H13 N3 O5 |
| Smiles: | COc1cc(C(Nc2ccccc2C#N)=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.157 |
| logD: | 1.5658 |
| logSw: | -3.1048 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.03 |
| InChI Key: | OJVXDVFMJXSLGQ-UHFFFAOYSA-N |