2-[2-(3-chloroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
2-[2-(3-chloroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
2-[2-(3-chloroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | L861-0004 |
| Compound Name: | 2-[2-(3-chloroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 451.87 |
| Molecular Formula: | C22 H18 Cl N5 O4 |
| Smiles: | COc1ccc(cc1)NC(C1C=CC2=NN(CC(Nc3cccc(c3)[Cl])=O)C(N2C=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3822 |
| logD: | 3.3767 |
| logSw: | -3.7533 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.584 |
| InChI Key: | HHUIMPZOCOAHCG-UHFFFAOYSA-N |