Oprea1_055575
2-[[4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
Also Known As: Oprea1_055575|Oprea1_523581|NCGC00020807-02|AB00385229-05|SR-01000002671-2|2-((4-(benzo[d][1,3]dioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3,4-dimethylphenyl)acetamide|2-{[4-(1,3-benzodioxol-5-yl)-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide|2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide|F1155-0191|2-[[4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide|2-{[4-(1,3-benzodioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
| Molecular Formula | C23H21N3O4S |
|---|---|
| Molecular Weight | 435.12527 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.12527 |
| Monoisotopic Mass | 435.12527 |
| Heavy Atoms | 31 |
| Complexity | 791.0 |
Chemical Identifiers
| CAS Number | 369398-33-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC4=C(C=C3)OCO4)C#N)C |
| InChIKey | DCSBQDUOBRAFDR-UHFFFAOYSA-N |
Product Overview
Oprea1_055575 (CAS 369398-33-4), with molecular formula C23H21N3O4S and molecular weight 435.12527 g/mol. IUPAC: 2-[[4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide.