methyl 2-[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)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[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)acetamido]benzoate
methyl 2-[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)acetamido]benzoate
Compound characteristics
| Compound ID: | F815-0841 |
| Compound Name: | methyl 2-[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)acetamido]benzoate |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | CC1CCc2c3C4=NN(CC(Nc5ccccc5C(=O)OC)=O)C(N4C=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3772 |
| logD: | 3.3732 |
| logSw: | -3.8363 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.136 |
| InChI Key: | RZKZRTYZHVQSEU-GFCCVEGCSA-N |