N-(3-cyanophenyl)-3-{3-[4-methyl-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-cyanophenyl)-3-{3-[4-methyl-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-cyanophenyl)-3-{3-[4-methyl-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: | F506-0832 |
| Compound Name: | N-(3-cyanophenyl)-3-{3-[4-methyl-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: | 457.45 |
| Molecular Formula: | C23 H19 N7 O4 |
| Smiles: | Cc1ccc(cc1)N1C(N(C)C(C(c2nc(CCC(Nc3cccc(C#N)c3)=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0702 |
| logD: | 3.07 |
| logSw: | -3.3604 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.559 |
| InChI Key: | HRTYGSZTUZTVMR-UHFFFAOYSA-N |