4-butyl-1-{[(4-ethenylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-butyl-1-{[(4-ethenylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-butyl-1-{[(4-ethenylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0044 |
| Compound Name: | 4-butyl-1-{[(4-ethenylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C20 H20 N4 O S2 |
| Smiles: | CCCCN1C(c2c(ccs2)n2c1nnc2SCc1ccc(C=C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.688 |
| logD: | 4.688 |
| logSw: | -4.1445 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.58 |
| InChI Key: | SCSPWUBVANYAOM-UHFFFAOYSA-N |