N-(2,5-dimethylphenyl)-2-{1,5-dioxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-2-{1,5-dioxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide
N-(2,5-dimethylphenyl)-2-{1,5-dioxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide
Compound characteristics
Compound ID: | L397-0621 |
Compound Name: | N-(2,5-dimethylphenyl)-2-{1,5-dioxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide |
Molecular Weight: | 453.52 |
Molecular Formula: | C22 H23 N5 O4 S |
Smiles: | Cc1ccc(C)c(c1)NC(CN1C(N2C(=N1)N(CC1CCCO1)C(c1c2ccs1)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.1113 |
logD: | 2.1113 |
logSw: | -2.7969 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.06 |
InChI Key: | LKKLCOUWLUINSX-OAHLLOKOSA-N |