N-(3-cyanophenyl)-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3-cyanophenyl)-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | L850-1661 |
| Compound Name: | N-(3-cyanophenyl)-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C21 H17 N7 O2 S |
| Smiles: | Cc1ccc(cc1)c1nc(c2nnc(n2C)SCC(Nc2cccc(C#N)c2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.7729 |
| logD: | 3.7728 |
| logSw: | -3.8623 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.934 |
| InChI Key: | KMPKZISGHYLNJO-UHFFFAOYSA-N |