1-{[(2-chlorophenyl)methyl]sulfanyl}-4-(2-phenylethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(2-chlorophenyl)methyl]sulfanyl}-4-(2-phenylethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2-chlorophenyl)methyl]sulfanyl}-4-(2-phenylethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
Compound ID: | F401-0252 |
Compound Name: | 1-{[(2-chlorophenyl)methyl]sulfanyl}-4-(2-phenylethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
Molecular Weight: | 452.98 |
Molecular Formula: | C22 H17 Cl N4 O S2 |
Smiles: | C(CN1C(c2c(ccs2)n2c1nnc2SCc1ccccc1[Cl])=O)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 5.4674 |
logD: | 5.4674 |
logSw: | -5.8799 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 40.309 |
InChI Key: | KANXPCUORUSCIB-UHFFFAOYSA-N |