AC1N7MIO
4-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
Also Known As: Oprea1_472532|AK-968/15603932|4-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]-2,7,7-trimethyl-N-(4-methylpyridin-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide|4-{3-methoxy-4-[(phenylsulfanyl)methyl]phenyl}-2,7,7-trimethyl-N-(4-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide|4-{3-METHOXY-4-[(PHENYLSULFANYL)METHYL]PHENYL}-2,7,7-TRIMETHYL-N-(4-METHYL-2-PYRIDYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE
| Molecular Formula | C33H35N3O3S |
|---|---|
| Molecular Weight | 553.2399 g/mol |
| LogP | 6.93362 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 553.2399 |
| Monoisotopic Mass | 553.2399 |
| Heavy Atoms | 40 |
| Complexity | 1524.9001 |
Chemical Identifiers
| CAS Number | 495375-94-5 |
|---|---|
| SMILES | CC1=CC(=NC=C1)NC(=O)C2=C(NC3=C(C2C4=CC(=C(C=C4)CSC5=CC=CC=C5)OC)C(=O)CC(C3)(C)C)C |
Product Overview
AC1N7MIO (CAS 495375-94-5), with molecular formula C33H35N3O3S and molecular weight 553.2399 g/mol. IUPAC: 4-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide.
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