3-(2-methoxyphenyl)-5-[(3-nitrophenyl)methyl]-1,2,4-triazin-6(1H)-one
Chemical Structure Depiction of
3-(2-methoxyphenyl)-5-[(3-nitrophenyl)methyl]-1,2,4-triazin-6(1H)-one
3-(2-methoxyphenyl)-5-[(3-nitrophenyl)methyl]-1,2,4-triazin-6(1H)-one
Compound characteristics
| Compound ID: | G879-1542 |
| Compound Name: | 3-(2-methoxyphenyl)-5-[(3-nitrophenyl)methyl]-1,2,4-triazin-6(1H)-one |
| Molecular Weight: | 338.32 |
| Molecular Formula: | C17 H14 N4 O4 |
| Smiles: | COc1ccccc1C1N=C(Cc2cccc(c2)[N+]([O-])=O)C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4903 |
| logD: | 2.4903 |
| logSw: | -3.0578 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.32 |
| InChI Key: | RJOLDDUVYLIXNK-UHFFFAOYSA-N |