7-[2-(3-nitro-1H-1,2,4-triazol-1-yl)ethoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[2-(3-nitro-1H-1,2,4-triazol-1-yl)ethoxy]-2H-1-benzopyran-2-one
7-[2-(3-nitro-1H-1,2,4-triazol-1-yl)ethoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D041-0012 |
| Compound Name: | 7-[2-(3-nitro-1H-1,2,4-triazol-1-yl)ethoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 302.24 |
| Molecular Formula: | C13 H10 N4 O5 |
| Smiles: | C(COc1ccc2C=CC(=O)Oc2c1)n1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.259 |
| logD: | 1.259 |
| logSw: | -2.0334 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.438 |
| InChI Key: | ZZELTMUPPBGIKZ-UHFFFAOYSA-N |