3-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-1-benzopyran-2-one
3-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1711-1498 |
| Compound Name: | 3-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 334.29 |
| Molecular Formula: | C17 H10 N4 O4 |
| Smiles: | C1=C(C(=O)Oc2ccccc12)c1nnc(c2ccc(cc2)[N+]([O-])=O)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.9098 |
| logD: | 2.405 |
| logSw: | -3.6906 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.055 |
| InChI Key: | VFWSZBIIZJWRTE-UHFFFAOYSA-N |