N-(2-cyanophenyl)-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-cyanophenyl)-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-cyanophenyl)-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: | F506-0565 |
| Compound Name: | N-(2-cyanophenyl)-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: | 461.41 |
| Molecular Formula: | C22 H16 F N7 O4 |
| Smiles: | CN1C(C(c2nc(CCC(Nc3ccccc3C#N)=O)on2)=NN(C1=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.232 |
| logD: | 2.2303 |
| logSw: | -3.0992 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.861 |
| InChI Key: | RZUPGVJTQQHLIQ-UHFFFAOYSA-N |