N-(4-bromophenyl)-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-(4-bromophenyl)-2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
N-(4-bromophenyl)-2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | S336-0547 |
| Compound Name: | N-(4-bromophenyl)-2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide |
| Molecular Weight: | 351.2 |
| Molecular Formula: | C14 H15 Br N4 O2 |
| Smiles: | C1CCN2C(C1)=NN(CC(Nc1ccc(cc1)[Br])=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.5816 |
| logD: | 2.5816 |
| logSw: | -2.9773 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.334 |
| InChI Key: | KRRRDYZNIKPYIM-UHFFFAOYSA-N |