ethyl 4-[2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamido]benzoate
ethyl 4-[2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | S336-0498 |
| Compound Name: | ethyl 4-[2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamido]benzoate |
| Molecular Weight: | 344.37 |
| Molecular Formula: | C17 H20 N4 O4 |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(N2CCCCC2=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3491 |
| logD: | 2.3491 |
| logSw: | -2.7958 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.088 |
| InChI Key: | IYNXNKAFHRXTFB-UHFFFAOYSA-N |