1-(butylsulfanyl)-4-[(3,4-diethoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-(butylsulfanyl)-4-[(3,4-diethoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-(butylsulfanyl)-4-[(3,4-diethoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | C200-7076 |
| Compound Name: | 1-(butylsulfanyl)-4-[(3,4-diethoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C22 H26 N4 O3 S2 |
| Smiles: | CCCCSc1nnc2N(Cc3ccc(c(c3)OCC)OCC)C(c3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7076 |
| logD: | 4.7076 |
| logSw: | -4.4199 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.022 |
| InChI Key: | SWQKLEUAWIMUTH-UHFFFAOYSA-N |