N-benzyl-4-[(4-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[(4-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-benzyl-4-[(4-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V021-4930 |
| Compound Name: | N-benzyl-4-[(4-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 512.46 |
| Molecular Formula: | C26 H20 F4 N4 O3 |
| Smiles: | CN(Cc1ccccc1)C(C1C(N(Cc2ccc(cc2)F)C(N(c2cccc(c2)C(F)(F)F)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8654 |
| logD: | 4.8654 |
| logSw: | -4.6678 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.395 |
| InChI Key: | QTSNFYFDCITYDR-UHFFFAOYSA-N |