3-{3-[2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(3-methylphenyl)propanamide
Chemical Structure Depiction of
3-{3-[2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(3-methylphenyl)propanamide
3-{3-[2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(3-methylphenyl)propanamide
Compound characteristics
Compound ID: | F506-1113 |
Compound Name: | 3-{3-[2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(3-methylphenyl)propanamide |
Molecular Weight: | 480.91 |
Molecular Formula: | C23 H21 Cl N6 O4 |
Smiles: | CCN1C(C(c2nc(CCC(Nc3cccc(C)c3)=O)on2)=NN(C1=O)c1ccc(cc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 3.959 |
logD: | 3.959 |
logSw: | -4.1979 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 96.462 |
InChI Key: | XZTCXXDWHLLTAC-UHFFFAOYSA-N |