N-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-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: | F798-0578 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-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: | 490 |
| Molecular Formula: | C21 H20 Cl N5 O3 S2 |
| Smiles: | Cc1ccc(cc1NC(CSc1nnc2N(CC3CCCO3)C(c3c(ccs3)n12)=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0074 |
| logD: | 3.0073 |
| logSw: | -3.506 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.436 |
| InChI Key: | OCSILXKLPQXIMN-CQSZACIVSA-N |