N-(2-cyanoethyl)-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}-N-phenylpropanamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-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}-N-phenylpropanamide
N-(2-cyanoethyl)-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}-N-phenylpropanamide
Compound characteristics
| Compound ID: | F506-0849 |
| Compound Name: | N-(2-cyanoethyl)-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}-N-phenylpropanamide |
| Molecular Weight: | 485.5 |
| Molecular Formula: | C25 H23 N7 O4 |
| Smiles: | Cc1ccc(cc1)N1C(N(C)C(C(c2nc(CCC(N(CCC#N)c3ccccc3)=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1328 |
| logD: | 3.1328 |
| logSw: | -3.2667 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 106.191 |
| InChI Key: | BXJNEBATPUKIJF-UHFFFAOYSA-N |