2-(4-chlorophenyl)-N-ethyl-3,5-dioxo-4-{[3-(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-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(4-chlorophenyl)-N-ethyl-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V022-1824 |
| Compound Name: | 2-(4-chlorophenyl)-N-ethyl-3,5-dioxo-4-{[3-(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(Cc2cccc(c2)C(F)(F)F)C(N(c2ccc(cc2)[Cl])N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6411 |
| logD: | 3.6409 |
| logSw: | -4.2562 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.556 |
| InChI Key: | LUTSMKHRBSGTPA-UHFFFAOYSA-N |