3-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-N-(4-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
3-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-N-(4-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
3-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-N-(4-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | C201-1385 |
| Compound Name: | 3-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-N-(4-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 489.6 |
| Molecular Formula: | C26 H27 N5 O3 S |
| Smiles: | CCCCc1ccc(cc1)NC(CSc1nnc2ccc(cn12)C(Nc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3115 |
| logD: | 5.3115 |
| logSw: | -5.0852 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.836 |
| InChI Key: | ZHEGMFGJNUYRAS-UHFFFAOYSA-N |