methyl 6-methyl-2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-methyl-2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-methyl-2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4112-0898 |
| Compound Name: | methyl 6-methyl-2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 472.61 |
| Molecular Formula: | C21 H20 N4 O3 S3 |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(CSc3nnc4n3c3ccccc3s4)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5745 |
| logD: | 2.5498 |
| logSw: | -4.5203 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.345 |
| InChI Key: | OZIOJADAAJOQIG-LLVKDONJSA-N |