methyl 2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5067-0693 |
| Compound Name: | methyl 2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 472.61 |
| Molecular Formula: | C21 H20 N4 O3 S3 |
| Smiles: | COC(c1c2CCCCCc2sc1NC(CSc1nnc2n1c1ccccc1s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6365 |
| logD: | 2.6118 |
| logSw: | -4.5273 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.676 |
| InChI Key: | NKYKSNZCGQKPRJ-UHFFFAOYSA-N |