MLS000039280
methyl 2-[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: NCGC00021104-01|NCGC00021104-02|NCGC00021104-03|A3472/0147194|Benzoic acid, 2-[2-(5-pyridin-4-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetylamino]-, methyl ester|methyl 2-(2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate|METHYL 2-(2-{[5-(PYRIDIN-4-YL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}ACETAMIDO)BENZOATE|methyl 2-[({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate|methyl 2-[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C17H14N4O4S |
|---|---|
| Molecular Weight | 370.07358 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 370.07358 |
| Monoisotopic Mass | 370.07358 |
| Heavy Atoms | 26 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 488100-85-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3 |
| InChIKey | WXQWGOAIJFGVGQ-UHFFFAOYSA-N |
Product Overview
MLS000039280 (CAS 488100-85-2), with molecular formula C17H14N4O4S and molecular weight 370.07358 g/mol. IUPAC: methyl 2-[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate.