5-(3,4-dimethoxyphenyl)-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-(3,4-dimethoxyphenyl)-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | 8563-0652 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 318.35 |
| Molecular Formula: | C14 H14 N4 O3 S |
| Smiles: | COc1ccc(cc1OC)C1=CC(n2c(N1)nc(n2)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0138 |
| logD: | 1.4018 |
| logSw: | -2.7869 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.218 |
| InChI Key: | CVQLFFUMHVUNRX-UHFFFAOYSA-N |