N-(2-chloro-4-methylphenyl)-3-{3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-3-{3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanamide
N-(2-chloro-4-methylphenyl)-3-{3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanamide
Compound characteristics
| Compound ID: | F506-0542 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-3-{3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-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: | Cc1ccc(c(c1)[Cl])NC(CCc1nc(C2C(N(C)C(N(c3ccc(cc3)F)N=2)=O)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5387 |
| logD: | 3.5384 |
| logSw: | -3.779 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.805 |
| InChI Key: | YXAWKTCZSKXIBA-UHFFFAOYSA-N |