2-(3,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-4-{[4-(trifluoromethyl)phenyl]methyl}-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
2-(3,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-4-{[4-(trifluoromethyl)phenyl]methyl}-1,2,4-triazine-3,5(2H,4H)-dione
2-(3,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-4-{[4-(trifluoromethyl)phenyl]methyl}-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | V022-2757 |
| Compound Name: | 2-(3,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-4-{[4-(trifluoromethyl)phenyl]methyl}-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 472.47 |
| Molecular Formula: | C24 H23 F3 N4 O3 |
| Smiles: | Cc1cc(C)cc(c1)N1C(N(Cc2ccc(cc2)C(F)(F)F)C(C(C(N2CCCC2)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8387 |
| logD: | 4.8387 |
| logSw: | -4.6692 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.259 |
| InChI Key: | JGEDMYSOSJGEAA-UHFFFAOYSA-N |