4-methoxy-3-nitro-N-(4H-1,2,4-triazol-4-yl)benzamide
Chemical Structure Depiction of
4-methoxy-3-nitro-N-(4H-1,2,4-triazol-4-yl)benzamide
4-methoxy-3-nitro-N-(4H-1,2,4-triazol-4-yl)benzamide
Compound characteristics
| Compound ID: | Y031-9764 |
| Compound Name: | 4-methoxy-3-nitro-N-(4H-1,2,4-triazol-4-yl)benzamide |
| Molecular Weight: | 263.21 |
| Molecular Formula: | C10 H9 N5 O4 |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(Nn1cnnc1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.29 |
| logD: | -0.29 |
| logSw: | -2.0329 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.903 |
| InChI Key: | DRHORLSKMXAQKG-UHFFFAOYSA-N |