2-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carbonitrile
Basic information
- CAS
671200-40-1- Standard SMILES
CC1(C)CC(=O)c2c(nc(SCC(=O)c3ccc4c(c3)OCCO4)c(C#N)c2-c2ccccc2)C1- InChIKey
SPTXFSBNNCAYCK-UHFFFAOYSA-N- Molecular formula
- C28H24N2O4S
- Average molar mass
- 484.6 g/mol
Names & identifiers
- Preferred name
- 2-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carbonitrile
- IUPAC
- 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carbonitrile
- English name
- 2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
- Molecular formula
- C28H24N2O4S
- Molecular weight
- 484.56616
Names & synonyms
671200-40-12-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrileF3394-06592-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carbonitrile2-((2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-oxoethyl)thio)-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrileSMSSF-0537083AKOS000813015AQ-750/42050568Z2750249102-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethylthio]-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-3-quinolinecarbonitrile2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
Database identifiers
- CAS
671200-40-1
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 847
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