N-[3-(methylsulfanyl)phenyl]-2-[3-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-[3-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
N-[3-(methylsulfanyl)phenyl]-2-[3-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
Compound characteristics
| Compound ID: | S346-0512 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-[3-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Smiles: | CSc1cccc(c1)NC(COc1cccc(c1)c1nnc2CCCCn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4457 |
| logD: | 3.4449 |
| logSw: | -3.8448 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.308 |
| InChI Key: | VDFHNHDTUGTAHD-UHFFFAOYSA-N |