3-[3-({[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(2,4,6-trimethylphenyl)propanamide
Chemical Structure Depiction of
3-[3-({[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(2,4,6-trimethylphenyl)propanamide
3-[3-({[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(2,4,6-trimethylphenyl)propanamide
Compound characteristics
| Compound ID: | J021-3714 |
| Compound Name: | 3-[3-({[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(2,4,6-trimethylphenyl)propanamide |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C22 H23 N7 O2 S |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CCc1nc(CSc2nnc(c3cccnc3)[nH]2)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2284 |
| logD: | 1.1023 |
| logSw: | -2.3183 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.079 |
| InChI Key: | WDKIMBWBHXIFCJ-UHFFFAOYSA-N |