2-(4-chlorophenyl)-N-ethyl-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-ethyl-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(4-chlorophenyl)-N-ethyl-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V023-0985 |
| Compound Name: | 2-(4-chlorophenyl)-N-ethyl-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 452.82 |
| Molecular Formula: | C20 H16 Cl F3 N4 O3 |
| Salt: | not_available |
| Smiles: | CCNC(C1C(N(Cc2ccc(cc2)C(F)(F)F)C(N(c2ccc(cc2)[Cl])N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.757 |
| logD: | 3.7569 |
| logSw: | -4.4725 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.556 |
| InChI Key: | WYKMCLUJTKSECV-UHFFFAOYSA-N |