5,7-dimethyl-3-{[(3-phenoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidine
Chemical Structure Depiction of
5,7-dimethyl-3-{[(3-phenoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidine
5,7-dimethyl-3-{[(3-phenoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidine
Compound characteristics
Compound ID: | 4065-0393 |
Compound Name: | 5,7-dimethyl-3-{[(3-phenoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidine |
Molecular Weight: | 362.45 |
Molecular Formula: | C20 H18 N4 O S |
Smiles: | Cc1cc(C)n2c(nnc2n1)SCc1cccc(c1)Oc1ccccc1 |
Stereo: | ACHIRAL |
logP: | 4.1497 |
logD: | 4.1497 |
logSw: | -4.3671 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 38.401 |
InChI Key: | HLYHHEHSAZJRLW-UHFFFAOYSA-N |