3-[3-({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethylphenyl)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-(2,4-dimethylphenyl)propanamide
3-[3-({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethylphenyl)propanamide
Compound characteristics
Compound ID: | J021-2048 |
Compound Name: | 3-[3-({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethylphenyl)propanamide |
Molecular Weight: | 468.96 |
Molecular Formula: | C22 H21 Cl N6 O2 S |
Smiles: | Cc1ccc(c(C)c1)NC(CCc1nc(CSc2nnc(c3ccccc3[Cl])[nH]2)no1)=O |
Stereo: | ACHIRAL |
logP: | 3.8437 |
logD: | 2.643 |
logSw: | -4.1365 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.259 |
InChI Key: | UNIJYJUJWVWUPL-UHFFFAOYSA-N |