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)-N-(2-methylphenyl)acetamide
Chemical Structure Depiction of
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)-N-(2-methylphenyl)acetamide
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)-N-(2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F815-0850 |
| Compound Name: | 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)-N-(2-methylphenyl)acetamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | CC1CCc2c3C4=NN(CC(Nc5ccccc5C)=O)C(N4C=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4475 |
| logD: | 3.4475 |
| logSw: | -3.8777 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.962 |
| InChI Key: | FCRUKCCIFOXZLT-GFCCVEGCSA-N |