N-(2-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-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: | L397-0613 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-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: | 473.94 |
| Molecular Formula: | C21 H20 Cl N5 O4 S |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(CN1C(N2C(=N1)N(CC1CCCO1)C(c1c2ccs1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7939 |
| logD: | 2.7938 |
| logSw: | -3.3676 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.06 |
| InChI Key: | LPMXAISJKKGMKJ-CYBMUJFWSA-N |