2-[2-(3-chloro-4-fluoroanilino)-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-chloro-4-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
Compound ID: | L861-0096 |
Compound Name: | 2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
Molecular Weight: | 469.86 |
Molecular Formula: | C22 H17 Cl F N5 O4 |
Smiles: | COc1ccc(cc1)NC(C1C=CC2=NN(CC(Nc3ccc(c(c3)[Cl])F)=O)C(N2C=1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3588 |
logD: | 3.3533 |
logSw: | -3.6521 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 86.584 |
InChI Key: | KSGNMMLHOHHOFX-UHFFFAOYSA-N |