3-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-N-benzyl[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
3-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-N-benzyl[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
3-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-N-benzyl[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | L860-0392 |
| Compound Name: | 3-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-N-benzyl[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 459.53 |
| Molecular Formula: | C24 H21 N5 O3 S |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc2ccc(cn12)C(NCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5679 |
| logD: | 2.5677 |
| logSw: | -2.7669 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.441 |
| InChI Key: | IXCMNQDPSSAKHQ-UHFFFAOYSA-N |