2-({4-[(furan-2-yl)methyl]-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-({4-[(furan-2-yl)methyl]-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)-N-[(3-methoxyphenyl)methyl]acetamide
2-({4-[(furan-2-yl)methyl]-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F798-0693 |
| Compound Name: | 2-({4-[(furan-2-yl)methyl]-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C22 H19 N5 O4 S2 |
| Smiles: | COc1cccc(CNC(CSc2nnc3N(Cc4ccco4)C(c4c(ccs4)n23)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1396 |
| logD: | 3.1396 |
| logSw: | -3.4144 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.094 |
| InChI Key: | QWGVMSWKSXFURK-UHFFFAOYSA-N |