6-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5(4H)-one
6-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0026 |
| Compound Name: | 6-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)anilino]-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 376.34 |
| Molecular Formula: | C18 H15 F3 N4 O2 |
| Smiles: | COc1ccc(CC2C(NC(Nc3cccc(c3)C(F)(F)F)=NN=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2941 |
| logD: | 4.2778 |
| logSw: | -4.4736 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.3 |
| InChI Key: | SZCZAJIYXYVUHF-UHFFFAOYSA-N |