N-(3-chloro-4-fluorophenyl)-3-{3-[4-ethyl-2-(4-methylphenyl)-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-(3-chloro-4-fluorophenyl)-3-{3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-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-2-(4-methylphenyl)-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: | F506-0622 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-3-{3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanamide |
| Molecular Weight: | 498.9 |
| Molecular Formula: | C23 H20 Cl F N6 O4 |
| Smiles: | CCN1C(C(c2nc(CCC(Nc3ccc(c(c3)[Cl])F)=O)on2)=NN(C1=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1579 |
| logD: | 4.1425 |
| logSw: | -4.4291 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.462 |
| InChI Key: | DQMDGBMLGQJMPS-UHFFFAOYSA-N |