3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-N-(4-methylphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-N-(4-methylphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-N-(4-methylphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | C201-1070 |
| Compound Name: | 3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-N-(4-methylphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 496.38 |
| Molecular Formula: | C22 H18 Br N5 O2 S |
| Smiles: | Cc1ccc(cc1)NC(c1ccc2nnc(n2c1)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6172 |
| logD: | 4.6171 |
| logSw: | -4.1719 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.293 |
| InChI Key: | MTPDDAFNEMHVRN-UHFFFAOYSA-N |