N-[(3-methoxyphenyl)methyl]-2-({5-oxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-2-({5-oxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
N-[(3-methoxyphenyl)methyl]-2-({5-oxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | F798-0615 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-2-({5-oxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide |
| Molecular Weight: | 485.58 |
| Molecular Formula: | C22 H23 N5 O4 S2 |
| Smiles: | COc1cccc(CNC(CSc2nnc3N(CC4CCCO4)C(c4c(ccs4)n23)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3289 |
| logD: | 2.3289 |
| logSw: | -2.6798 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81 |
| InChI Key: | JWVVVRLKNHUYIJ-MRXNPFEDSA-N |