N-(3-chloro-4-fluorophenyl)-3-[3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-3-[3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
N-(3-chloro-4-fluorophenyl)-3-[3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
Compound characteristics
| Compound ID: | F506-0010 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-3-[3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazol-5-yl]propanamide |
| Molecular Weight: | 484.87 |
| Molecular Formula: | C22 H18 Cl F N6 O4 |
| Smiles: | [H]c1ccc(cc1)N1C(N(CC)C(C(c2nc(CCC(Nc3ccc(c(c3)[Cl])F)=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.613 |
| logD: | 3.5975 |
| logSw: | -3.8861 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.462 |
| InChI Key: | YCAQPLUYYYIXMA-UHFFFAOYSA-N |