2-Indolinone, 3-(2-(diethylamino)ethyl)-1-(methyl(p-(methylthio)benzyl)amino)-3-phenyl-

HCID 36451

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Basic information

CAS: 33391-42-3
Standard SMILES: CCN(CC)CCC1(c2ccccc2)C(=O)N(N(C)Cc2ccc(SC)cc2)c2ccccc21
InChIKey: JNLOVIMNSJOLOR-UHFFFAOYSA-N
Molecular formula: C29H35N3OS
Average molar mass: 473.7 g/mol
Monoisotopic mass: 473.25008392

Names & identifiers

Preferred name: 2-Indolinone, 3-(2-(diethylamino)ethyl)-1-(methyl(p-(methylthio)benzyl)amino)-3-phenyl-
IUPAC: 3-[2-(diethylamino)ethyl]-1-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-phenylindol-2-one

Names & synonyms

BRN 05041633-(2-(Diethylamino)ethyl)-1-(methyl(p-(methylthio)benzyl)amino)-3-phenyl-2-indolinone33391-42-32-Indolinone, 3-(2-(diethylamino)ethyl)-1-(methyl(p-(methylthio)benzyl)amino)-3-phenyl-RefChem:262094DTXSID009550213-[2-(Diethylamino)ethyl]-1-(methyl{[4-(methylsulfanyl)phenyl]methyl}amino)-3-phenyl-1,3-dihydro-2H-indol-2-one

Database identifiers

CAS: 33391-42-3
PubChem CID: 36451
DTXSID: DTXSID00955021

Properties

Computed structural properties

XLogP: 5.8
Topological polar surface area: 52.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 34
Formal charge: 0
Complexity: 641

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