4-butyl-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-butyl-1-{[(3-chlorophenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-butyl-1-{[(3-chlorophenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0029 |
| Compound Name: | 4-butyl-1-{[(3-chlorophenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 404.94 |
| Molecular Formula: | C18 H17 Cl N4 O S2 |
| Smiles: | CCCCN1C(c2c(ccs2)n2c1nnc2SCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0266 |
| logD: | 5.0266 |
| logSw: | -4.9825 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.58 |
| InChI Key: | KQNOHRHJCSOJHJ-UHFFFAOYSA-N |