6-[(2-chlorophenyl)methyl]-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-[(2-chlorophenyl)methyl]-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5(4H)-one
6-[(2-chlorophenyl)methyl]-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0522 |
| Compound Name: | 6-[(2-chlorophenyl)methyl]-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 380.75 |
| Molecular Formula: | C17 H12 Cl F3 N4 O |
| Smiles: | C(C1C(NC(Nc2cccc(c2)C(F)(F)F)=NN=1)=O)c1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0848 |
| logD: | 5.0686 |
| logSw: | -5.5981 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.756 |
| InChI Key: | RHIGUADSTFDEOH-UHFFFAOYSA-N |