6-[(4-methoxyphenyl)methyl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(4-methoxyphenyl)methyl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(4-methoxyphenyl)methyl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
Compound ID: | D727-0199 |
Compound Name: | 6-[(4-methoxyphenyl)methyl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
Molecular Weight: | 368.48 |
Molecular Formula: | C18 H16 N4 O S2 |
Smiles: | COc1ccc(Cc2nn3c(CSc4ccccc4)nnc3s2)cc1 |
Stereo: | ACHIRAL |
logP: | 3.5096 |
logD: | 3.5096 |
logSw: | -3.6699 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 42.737 |
InChI Key: | ZILOLOKULWXKCI-UHFFFAOYSA-N |