2-[2-(2-acetamido[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethenyl]-4-nitrophenyl acetate
Chemical Structure Depiction of
2-[2-(2-acetamido[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethenyl]-4-nitrophenyl acetate
2-[2-(2-acetamido[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethenyl]-4-nitrophenyl acetate
Compound characteristics
| Compound ID: | 6056-0408 |
| Compound Name: | 2-[2-(2-acetamido[1,2,4]triazolo[1,5-c]quinazolin-5-yl)ethenyl]-4-nitrophenyl acetate |
| Molecular Weight: | 432.39 |
| Molecular Formula: | C21 H16 N6 O5 |
| Smiles: | CC(Nc1nc2c3ccccc3nc(/C=C/c3cc(ccc3OC(C)=O)[N+]([O-])=O)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5475 |
| logD: | 2.5462 |
| logSw: | -3.1932 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.078 |
| InChI Key: | NMKJHNHHWDKPAM-UHFFFAOYSA-N |