3-[3-({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide
Chemical Structure Depiction of
3-[3-({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide
3-[3-({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide
Compound characteristics
| Compound ID: | J021-2070 |
| Compound Name: | 3-[3-({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide |
| Molecular Weight: | 472.93 |
| Molecular Formula: | C21 H18 Cl F N6 O2 S |
| Smiles: | Cc1cc(ccc1NC(CCc1nc(CSc2nnc(c3ccccc3[Cl])[nH]2)no1)=O)F |
| Stereo: | ACHIRAL |
| logP: | 3.38 |
| logD: | 2.1793 |
| logSw: | -3.7958 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.259 |
| InChI Key: | NEPRTQHHJCTDAY-UHFFFAOYSA-N |