3-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-N-(4-methylphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
3-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-N-(4-methylphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
3-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-N-(4-methylphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | C201-1072 |
| Compound Name: | 3-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-N-(4-methylphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C23 H21 N5 O3 S |
| Smiles: | Cc1ccc(cc1)NC(c1ccc2nnc(n2c1)SCC(Nc1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8498 |
| logD: | 3.8497 |
| logSw: | -3.8498 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.836 |
| InChI Key: | DEVOAXZCWPERSL-UHFFFAOYSA-N |