ChemSpider 2D Image | (3S)-2-(3-Methylbutyl)-3-[1-methyl-2-(4-methylphenyl)-1H-indol-3-yl]-1-isoindolinone | C29H30N2O

(3S)-2-(3-Methylbutyl)-3-[1-methyl-2-(4-methylphenyl)-1H-indol-3-yl]-1-isoindolinone

  • Molecular FormulaC29H30N2O
  • Average mass422.561 Da
  • Monoisotopic mass422.235809 Da
  • ChemSpider ID129284715

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S)-2-(3-Methylbutyl)-3-[1-methyl-2-(4-methylphenyl)-1H-indol-3-yl]-1-isoindolinon [German] [ACD/IUPAC Name]
(3S)-2-(3-Methylbutyl)-3-[1-methyl-2-(4-methylphenyl)-1H-indol-3-yl]-1-isoindolinone [ACD/IUPAC Name]
(3S)-2-(3-Méthylbutyl)-3-[1-méthyl-2-(4-méthylphényl)-1H-indol-3-yl]-1-isoindolinone [French] [ACD/IUPAC Name]
1H-Isoindol-1-one, 2,3-dihydro-2-(3-methylbutyl)-3-[1-methyl-2-(4-methylphenyl)-1H-indol-3-yl]-, (3S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 592.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.4±30.1 °C
Index of Refraction: 1.625
Molar Refractivity: 131.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 6.15
ACD/BCF (pH 5.5): 27676.79
ACD/KOC (pH 5.5): 52632.14
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 27676.79
ACD/KOC (pH 7.4): 52632.14
Polar Surface Area: 25 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 371.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement