CBMicro_036680
benzyl 2-[(5-cyano-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetate
Also Known As: CBMicro_036680|DivK1c_005976|CDS1_004936|BIM-0036769.P001|benzyl 2-[(5-cyano-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetate|benzyl {[3-cyano-6-hydroxy-4-(naphthalen-1-yl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate|benzyl 2-((3-cyano-4-(naphthalen-1-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate|benzyl {[3-cyano-4-(naphthalen-1-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
| Molecular Formula | C25H20N2O3S |
|---|---|
| Molecular Weight | 428.11948 g/mol |
| LogP | 4.65508 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.11948 |
| Monoisotopic Mass | 428.11948 |
| Heavy Atoms | 31 |
| Complexity | 1192.8676 |
Chemical Identifiers
| CAS Number | 375355-92-3 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=CC4=CC=CC=C43 |
Product Overview
CBMicro_036680 (CAS 375355-92-3), with molecular formula C25H20N2O3S and molecular weight 428.11948 g/mol. IUPAC: benzyl 2-[(5-cyano-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetate.
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