3-(2-ethoxyphenyl)-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2-ethoxyphenyl)-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
3-(2-ethoxyphenyl)-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
Compound characteristics
Compound ID: | D141-0103 |
Compound Name: | 3-(2-ethoxyphenyl)-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole |
Molecular Weight: | 393.47 |
Molecular Formula: | C20 H19 N5 O2 S |
Smiles: | CCOc1ccccc1c1nc(CSc2nnc(c3ccccc3)n2C)on1 |
Stereo: | ACHIRAL |
logP: | 4.2461 |
logD: | 4.2461 |
logSw: | -4.3669 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 63.604 |
InChI Key: | ORTUHJNVEIVYFL-UHFFFAOYSA-N |