N-(4-acetylphenyl)-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-(4-acetylphenyl)-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-(4-acetylphenyl)-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: | F798-0607 |
| Compound Name: | N-(4-acetylphenyl)-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: | 483.57 |
| Molecular Formula: | C22 H21 N5 O4 S2 |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc2N(CC3CCCO3)C(c3c(ccs3)n12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0924 |
| logD: | 2.0922 |
| logSw: | -2.6473 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.961 |
| InChI Key: | KKDGBTRAAOJRCH-MRXNPFEDSA-N |