AC1NQF3I
methyl 2-[[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate
Also Known As: Oprea1_513992|SR-01000484661-1|methyl {[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetate|methyl 2-((5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl)thio)acetate|Methyl 2-[[5-carbamoyl-3-cyano-4-(2-furyl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate|methyl 2-[[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate
| Molecular Formula | C15H15N3O4S |
|---|---|
| Molecular Weight | 333.07834 g/mol |
| LogP | 1.36708 |
| Topological Polar Surface Area | 118.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.07834 |
| Monoisotopic Mass | 333.07834 |
| Heavy Atoms | 23 |
| Complexity | 728.4032 |
Chemical Identifiers
| CAS Number | 369396-97-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC=CO2)C(=O)N |
Product Overview
AC1NQF3I (CAS 369396-97-4), with molecular formula C15H15N3O4S and molecular weight 333.07834 g/mol. IUPAC: methyl 2-[[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate.
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