2-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | 8563-0678 |
| Compound Name: | 2-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C20 H18 N4 O3 S |
| Smiles: | COc1ccc(cc1OC)C1=CC(n2c(N1)nc(n2)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2202 |
| logD: | 2.7874 |
| logSw: | -3.5604 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.946 |
| InChI Key: | IKAMBTINPGSUIC-UHFFFAOYSA-N |