N-benzyl-2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
N-benzyl-2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
N-benzyl-2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | L861-0478 |
| Compound Name: | N-benzyl-2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 453.86 |
| Molecular Formula: | C22 H17 Cl F N5 O3 |
| Smiles: | C(c1ccccc1)NC(C1C=CC2=NN(CC(Nc3ccc(cc3[Cl])F)=O)C(N2C=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7414 |
| logD: | 2.7389 |
| logSw: | -3.3966 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.664 |
| InChI Key: | ZVLWLFFNZRTBTL-UHFFFAOYSA-N |