ethyl 2-{3-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{3-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{3-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2294-1116 |
| Compound Name: | ethyl 2-{3-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C20 H22 N4 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CCSc1nnc2ccccn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1479 |
| logD: | 0.752 |
| logSw: | -3.3842 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.777 |
| InChI Key: | BRERDPQWKMGNJH-UHFFFAOYSA-N |