N-[2-(4-chlorophenyl)ethyl]-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-[2-(4-chlorophenyl)ethyl]-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-[2-(4-chlorophenyl)ethyl]-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: | F815-0896 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-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: | 455.96 |
| Molecular Formula: | C22 H22 Cl N5 O2 S |
| Smiles: | CC1CCc2c3C4=NN(CC(NCCc5ccc(cc5)[Cl])=O)C(N4C=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5998 |
| logD: | 3.5998 |
| logSw: | -4.5435 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.823 |
| InChI Key: | SBABFDPPCCZPDS-CYBMUJFWSA-N |