N-[3-(methylsulfanyl)phenyl]-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-(methylsulfanyl)phenyl]-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-(methylsulfanyl)phenyl]-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: | F798-0585 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-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: | 487.62 |
| Molecular Formula: | C21 H21 N5 O3 S3 |
| Smiles: | CSc1cccc(c1)NC(CSc1nnc2N(CC3CCCO3)C(c3c(ccs3)n12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0112 |
| logD: | 3.0112 |
| logSw: | -3.4534 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.134 |
| InChI Key: | QLMAQBSTDXEGIC-CQSZACIVSA-N |