N-[3-(methylsulfanyl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
N-[3-(methylsulfanyl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | S336-0554 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide |
| Molecular Weight: | 318.4 |
| Molecular Formula: | C15 H18 N4 O2 S |
| Smiles: | CSc1cccc(c1)NC(CN1C(N2CCCCC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2086 |
| logD: | 2.2086 |
| logSw: | -2.9145 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.334 |
| InChI Key: | AYOFTNOWDZXEJY-UHFFFAOYSA-N |