3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-N-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-N-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-N-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
Compound ID: | L860-0280 |
Compound Name: | 3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-N-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
Molecular Weight: | 500.35 |
Molecular Formula: | C21 H15 Br F N5 O2 S |
Smiles: | C(C(Nc1ccc(cc1)[Br])=O)Sc1nnc2ccc(cn12)C(Nc1cccc(c1)F)=O |
Stereo: | ACHIRAL |
logP: | 4.3472 |
logD: | 4.3465 |
logSw: | -4.2936 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.293 |
InChI Key: | IMNIDMDKYTVCSS-UHFFFAOYSA-N |