ethyl 2-{2-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5867-3883 |
| Compound Name: | ethyl 2-{2-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C19 H20 N4 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nnc2ccccn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0483 |
| logD: | 1.0236 |
| logSw: | -3.35 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.777 |
| InChI Key: | ZOCJEKZSSORRIC-UHFFFAOYSA-N |