ChemDiv1_008136
2-ethylsulfanylethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ChemDiv1_008136|DivK1c_002776|HMS610B18|CDS1_001736|SR-01000471812-1|2-(ethylsulfanyl)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|2-(ethylthio)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|2-ethylsulfanylethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate|2-ethylthioethyl 4-(5-bromo-4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1 ,4,6,7,8-pentahydroquinoline-3-carboxylate
| Molecular Formula | C24H30BrNO5S |
|---|---|
| Molecular Weight | 523.1028 g/mol |
| LogP | 5.0636 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.1028 |
| Monoisotopic Mass | 523.1028 |
| Heavy Atoms | 32 |
| Complexity | 998.3489 |
Chemical Identifiers
| CAS Number | 347352-60-7 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OC)C(=O)CC(C2)(C)C)C |
Product Overview
ChemDiv1_008136 (CAS 347352-60-7), with molecular formula C24H30BrNO5S and molecular weight 523.1028 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
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