1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(3-methylbutyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(3-methylbutyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(3-methylbutyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
Compound ID: | F401-0023 |
Compound Name: | 1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(3-methylbutyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
Molecular Weight: | 414.55 |
Molecular Formula: | C20 H22 N4 O2 S2 |
Smiles: | CC(C)CCN1C(c2c(ccs2)n2c1nnc2SCc1cccc(c1)OC)=O |
Stereo: | ACHIRAL |
logP: | 4.7416 |
logD: | 4.7416 |
logSw: | -4.4734 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 48.124 |
InChI Key: | QAOYRUQRSSAURF-UHFFFAOYSA-N |