N-benzyl-2-[2-(4-bromoanilino)-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-(4-bromoanilino)-2-oxoethyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
N-benzyl-2-[2-(4-bromoanilino)-2-oxoethyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | L861-0475 |
| Compound Name: | N-benzyl-2-[2-(4-bromoanilino)-2-oxoethyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 480.32 |
| Molecular Formula: | C22 H18 Br N5 O3 |
| Smiles: | C(c1ccccc1)NC(C1C=CC2=NN(CC(Nc3ccc(cc3)[Br])=O)C(N2C=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1421 |
| logD: | 3.1413 |
| logSw: | -3.2906 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.362 |
| InChI Key: | XVBQANIXLNUWTR-UHFFFAOYSA-N |