N-benzyl-2-[2-(2-bromo-4-methylanilino)-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-bromo-4-methylanilino)-2-oxoethyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
N-benzyl-2-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | L861-0542 |
| Compound Name: | N-benzyl-2-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 494.35 |
| Molecular Formula: | C23 H20 Br N5 O3 |
| Smiles: | Cc1ccc(c(c1)[Br])NC(CN1C(N2C=C(C=CC2=N1)C(NCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0896 |
| logD: | 3.0888 |
| logSw: | -3.2705 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.664 |
| InChI Key: | VNGXPINGPWWURT-UHFFFAOYSA-N |