N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-6708 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C18 H21 N5 O4 S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCC(NCCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2438 |
| logD: | 0.2277 |
| logSw: | -2.3186 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.271 |
| InChI Key: | WHNJAGZBVQRLRO-UHFFFAOYSA-N |