AC1Mfd3A
2-ethylsulfanylethyl 4-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: CBMicro_015254|ChemDiv1_018052|HMS638E12|BIM-0015153.P001|A2551/0108619|SR-01000533317-1|2-(ethylsulfanyl)ethyl 4-[3-(benzyloxy)-4-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|2-ethylsulfanylethyl 4-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate|2-(ethylthio)ethyl 4-[3-(benzyloxy)-4-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|2-ethylthioethyl 4-[4-methoxy-3-(phenylmethoxy)phenyl]-2-methyl-5-oxo-1,4,6,7, 8-pentahydroquinoline-3-carboxylate
| Molecular Formula | C29H33NO5S |
|---|---|
| Molecular Weight | 507.20795 g/mol |
| LogP | 5.5384 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 507.20795 |
| Monoisotopic Mass | 507.20795 |
| Heavy Atoms | 36 |
| Complexity | 1171.4419 |
Chemical Identifiers
| CAS Number | 5804-65-9 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)C(=O)CCC2)C |
Product Overview
AC1Mfd3A (CAS 5804-65-9), with molecular formula C29H33NO5S and molecular weight 507.20795 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.