methyl 2-[2-(9-tert-butyl-2-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3(2H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(9-tert-butyl-2-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3(2H)-yl)acetamido]benzoate
methyl 2-[2-(9-tert-butyl-2-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3(2H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | L908-0635 |
| Compound Name: | methyl 2-[2-(9-tert-butyl-2-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3(2H)-yl)acetamido]benzoate |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C25 H27 N5 O4 S |
| Smiles: | CC(C)(C)C1CCc2c3C4=NC(N(CC(Nc5ccccc5C(=O)OC)=O)N4C=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.44 |
| logD: | 0.8207 |
| logSw: | -4.4418 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.417 |
| InChI Key: | IXAMQFFPKCLEAR-CQSZACIVSA-N |