4-benzyl-1-{[(3-chlorophenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-benzyl-1-{[(3-chlorophenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-benzyl-1-{[(3-chlorophenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0154 |
| Compound Name: | 4-benzyl-1-{[(3-chlorophenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 438.96 |
| Molecular Formula: | C21 H15 Cl N4 O S2 |
| Smiles: | C(c1ccccc1)N1C(c2c(ccs2)n2c1nnc2SCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.365 |
| logD: | 5.365 |
| logSw: | -5.8178 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.33 |
| InChI Key: | NVLGISBCHCTJEG-UHFFFAOYSA-N |