3-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-N-(4-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
3-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-N-(4-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
3-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-N-(4-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | C201-1392 |
| Compound Name: | 3-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-N-(4-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 467.93 |
| Molecular Formula: | C22 H18 Cl N5 O3 S |
| Smiles: | COc1ccc(cc1)NC(c1ccc2nnc(n2c1)SCC(Nc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.937 |
| logD: | 3.9369 |
| logSw: | -4.4687 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.836 |
| InChI Key: | XOAJOFZBIUXUNF-UHFFFAOYSA-N |