2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | C201-1040 |
| Compound Name: | 2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 449.9 |
| Molecular Formula: | C23 H20 Cl N5 O3 |
| Smiles: | Cc1ccc(cc1)NC(C1C=CC2=NN(CC(Nc3ccc(C)c(c3)[Cl])=O)C(N2C=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4598 |
| logD: | 4.4564 |
| logSw: | -4.4573 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.04 |
| InChI Key: | GWZCWSSXDHOGTF-UHFFFAOYSA-N |