N-(5-chloro-2,4-dimethoxyphenyl)-2-(9-methyl-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-(9-methyl-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-(9-methyl-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | F815-0880 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-(9-methyl-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
| Molecular Weight: | 487.96 |
| Molecular Formula: | C22 H22 Cl N5 O4 S |
| Smiles: | CC1CCc2c3C4=NN(CC(Nc5cc(c(cc5OC)OC)[Cl])=O)C(N4C=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9515 |
| logD: | 3.9492 |
| logSw: | -4.5719 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.223 |
| InChI Key: | JEIGNEJGLXDEOG-LLVKDONJSA-N |