6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-1-benzopyran-2-one
6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 3720-1270 |
| Compound Name: | 6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 364.32 |
| Molecular Formula: | C18 H12 N4 O5 |
| Smiles: | COc1ccc2c(C=C(C(=O)O2)c2nnc(c3cccc(c3)[N+]([O-])=O)[nH]2)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.9758 |
| logD: | 2.0085 |
| logSw: | -3.5484 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.599 |
| InChI Key: | RJRZBYCLTZQIEO-UHFFFAOYSA-N |