N-(3-chloro-2-methylphenyl)-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-(3-chloro-2-methylphenyl)-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-(3-chloro-2-methylphenyl)-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: | F815-0936 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-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: | 441.94 |
| Molecular Formula: | C21 H20 Cl N5 O2 S |
| Smiles: | CC1CCc2c3C4=NN(CC(Nc5cccc(c5C)[Cl])=O)C(N4C=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.46 |
| logD: | 4.4599 |
| logSw: | -4.674 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.962 |
| InChI Key: | LXAJJFFVSMPXCU-LLVKDONJSA-N |