AC1LCYEO
ethyl 4-[[6-amino-4-(4-chlorophenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]-3-oxobutanoate
Also Known As: NCGC00018885-01|NCGC00018885-02|AM-807/12426145|ethyl 4-((6-amino-4-(4-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-3-oxobutanoate|ethyl 4-[6-amino-4-(4-chlorophenyl)-3,5-dicyano(2-pyridylthio)]-3-oxobutanoate|ethyl 4-[6-amino-4-(4-chlorophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl-3-oxobutanoate|ethyl 4-{[6-amino-4-(4-chlorophenyl)-3,5-dicyano-2-pyridinyl]sulfanyl}-3-oxobutanoate|ethyl 4-{[6-amino-4-(4-chlorophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}-3-oxobutanoate
| Molecular Formula | C19H15ClN4O3S |
|---|---|
| Molecular Weight | 414.05533 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.05533 |
| Monoisotopic Mass | 414.05533 |
| Heavy Atoms | 28 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 330833-00-6 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=C(C=C2)Cl)C#N |
| InChIKey | RTTXJVRGSKNVCD-UHFFFAOYSA-N |
Product Overview
AC1LCYEO (CAS 330833-00-6), with molecular formula C19H15ClN4O3S and molecular weight 414.05533 g/mol. IUPAC: ethyl 4-[[6-amino-4-(4-chlorophenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]-3-oxobutanoate.
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