6-[(4-chlorophenyl)methyl]-3-(4-fluoroanilino)-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-3-(4-fluoroanilino)-1,2,4-triazin-5(4H)-one
6-[(4-chlorophenyl)methyl]-3-(4-fluoroanilino)-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0426 |
| Compound Name: | 6-[(4-chlorophenyl)methyl]-3-(4-fluoroanilino)-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 330.75 |
| Molecular Formula: | C16 H12 Cl F N4 O |
| Smiles: | C(C1C(NC(Nc2ccc(cc2)F)=NN=1)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8922 |
| logD: | 3.8882 |
| logSw: | -4.5261 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.756 |
| InChI Key: | LJQFYBKRVRTZGE-UHFFFAOYSA-N |