5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-triazin-6(1H)-one
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-triazin-6(1H)-one
5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-triazin-6(1H)-one
Compound characteristics
| Compound ID: | G879-1539 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-triazin-6(1H)-one |
| Molecular Weight: | 337.33 |
| Molecular Formula: | C18 H15 N3 O4 |
| Smiles: | COc1ccccc1C1N=C(Cc2ccc3c(c2)OCO3)C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4993 |
| logD: | 2.4993 |
| logSw: | -3.0792 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.054 |
| InChI Key: | BMSFUGKVVUSHCT-UHFFFAOYSA-N |