2-({5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-({5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
2-({5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
Compound characteristics
Compound ID: | D549-2547 |
Compound Name: | 2-({5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide |
Molecular Weight: | 484.57 |
Molecular Formula: | C22 H21 F N6 O2 S2 |
Smiles: | C1CC(Cn2c(c3c(c4cccnc4s3)N)nnc2SCC(Nc2ccccc2F)=O)OC1 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.7947 |
logD: | 2.793 |
logSw: | -3.1904 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 84.614 |
InChI Key: | YNJUKWGHVLYLNS-CYBMUJFWSA-N |