1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
Compound ID: | F401-0060 |
Compound Name: | 1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
Molecular Weight: | 398.55 |
Molecular Formula: | C20 H22 N4 O S2 |
Smiles: | CC(C)CN1C(c2c(ccs2)n2c1nnc2SCc1cc(C)ccc1C)=O |
Stereo: | ACHIRAL |
logP: | 5.5764 |
logD: | 5.5764 |
logSw: | -5.2846 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 40.602 |
InChI Key: | SBHVUDQSNXPNIF-UHFFFAOYSA-N |