1-{[(3-chlorophenyl)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-chlorophenyl)methyl]sulfanyl}-4-(3-methylbutyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(3-chlorophenyl)methyl]sulfanyl}-4-(3-methylbutyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
Compound ID: | F401-0004 |
Compound Name: | 1-{[(3-chlorophenyl)methyl]sulfanyl}-4-(3-methylbutyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
Molecular Weight: | 418.97 |
Molecular Formula: | C19 H19 Cl N4 O S2 |
Smiles: | CC(C)CCN1C(c2c(ccs2)n2c1nnc2SCc1cccc(c1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 5.3417 |
logD: | 5.3417 |
logSw: | -5.781 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 40.58 |
InChI Key: | QIJHZPXXPBFSGN-UHFFFAOYSA-N |