ChemDiv1_002399
2-ethylsulfanylethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_002399|HMS593N01|BAS 01052115|AG-690/12867575|2-(ethylsulfanyl)ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|2-ethylsulfanylethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate|2-(ethylsulfanyl)ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|2-ethylthioethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,6,7,8 -pentahydroquinoline-3-carboxylate
| Molecular Formula | C23H28BrNO5S |
|---|---|
| Molecular Weight | 509.08716 g/mol |
| LogP | 4.8176 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 509.08716 |
| Monoisotopic Mass | 509.08716 |
| Heavy Atoms | 31 |
| Complexity | 940.13965 |
Chemical Identifiers
| CAS Number | 5722-69-0 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCCSCC)C)Br)O |
Product Overview
ChemDiv1_002399 (CAS 5722-69-0), with molecular formula C23H28BrNO5S and molecular weight 509.08716 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
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