3-(2-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
3-(2-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5(4H)-one
3-(2-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0055 |
| Compound Name: | 3-(2-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 326.33 |
| Molecular Formula: | C17 H15 F N4 O2 |
| Smiles: | COc1ccc(CC2C(NC(Nc3ccccc3F)=NN=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2659 |
| logD: | 3.2609 |
| logSw: | -3.5596 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.602 |
| InChI Key: | PGZVUFFTSMQBKX-UHFFFAOYSA-N |