6-nitro-2-oxo-N-(4H-1,2,4-triazol-4-yl)-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
6-nitro-2-oxo-N-(4H-1,2,4-triazol-4-yl)-2H-1-benzopyran-3-carboxamide
6-nitro-2-oxo-N-(4H-1,2,4-triazol-4-yl)-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8014-8842 |
| Compound Name: | 6-nitro-2-oxo-N-(4H-1,2,4-triazol-4-yl)-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 301.22 |
| Molecular Formula: | C12 H7 N5 O5 |
| Smiles: | C1=C(C(Nn2cnnc2)=O)C(=O)Oc2ccc(cc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.0374 |
| logD: | -0.0374 |
| logSw: | -2.1908 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.495 |
| InChI Key: | VKMYOMGYFVRPJV-UHFFFAOYSA-N |