5-({[4-(3,4-dimethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-({[4-(3,4-dimethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole
5-({[4-(3,4-dimethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole
Compound characteristics
Compound ID: | D065-0070 |
Compound Name: | 5-({[4-(3,4-dimethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole |
Molecular Weight: | 383.49 |
Molecular Formula: | C18 H17 N5 O S2 |
Smiles: | Cc1ccc(cc1C)n1c(C)nnc1SCc1nc(c2cccs2)no1 |
Stereo: | ACHIRAL |
logP: | 4.5506 |
logD: | 4.5504 |
logSw: | -4.4138 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 58.122 |
InChI Key: | MCDVYFFVZJJEBG-UHFFFAOYSA-N |