2-(3-chloro-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)-4-{[4-(trifluoromethyl)phenyl]methyl}-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
2-(3-chloro-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)-4-{[4-(trifluoromethyl)phenyl]methyl}-1,2,4-triazine-3,5(2H,4H)-dione
2-(3-chloro-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)-4-{[4-(trifluoromethyl)phenyl]methyl}-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | V007-1327 |
| Compound Name: | 2-(3-chloro-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)-4-{[4-(trifluoromethyl)phenyl]methyl}-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 492.88 |
| Molecular Formula: | C23 H20 Cl F3 N4 O3 |
| Smiles: | Cc1ccc(cc1[Cl])N1C(N(Cc2ccc(cc2)C(F)(F)F)C(C(C(N2CCCC2)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0822 |
| logD: | 5.0822 |
| logSw: | -5.517 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.259 |
| InChI Key: | CBFUHUNEHLBOMH-UHFFFAOYSA-N |