N-(3-cyanophenyl)-3-[3-(4-methyl-3,5-dioxo-2-phenyl-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-3,5-dioxo-2-phenyl-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-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
Compound characteristics
| Compound ID: | F506-0259 |
| Compound Name: | N-(3-cyanophenyl)-3-[3-(4-methyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazol-5-yl]propanamide |
| Molecular Weight: | 443.42 |
| Molecular Formula: | C22 H17 N7 O4 |
| Smiles: | [H]c1ccc(cc1)N1C(N(C)C(C(c2nc(CCC(Nc3cccc(C#N)c3)=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5252 |
| logD: | 2.525 |
| logSw: | -3.1709 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.559 |
| InChI Key: | YGUSDUOVWJHBCK-UHFFFAOYSA-N |