ChemSpider 2D Image | 2-Methyl-2-propanyl [4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-{4-[(1R)-1-phenylethyl]-1-piperazinyl}-1,3-dihydro-2H-isoindol-2-yl)butyl]carbamate | C37H46N4O6

2-Methyl-2-propanyl [4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-{4-[(1R)-1-phenylethyl]-1-piperazinyl}-1,3-dihydro-2H-isoindol-2-yl)butyl]carbamate

  • Molecular FormulaC37H46N4O6
  • Average mass642.784 Da
  • Monoisotopic mass642.341736 Da
  • ChemSpider ID24631228

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

[4-(3,4-Diméthoxyphényl)-4-(1,3-dioxo-4-{4-[(1R)-1-phényléthyl]-1-pipérazinyl}-1,3-dihydro-2H-isoindol-2-yl)butyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-{4-[(1R)-1-phenylethyl]-1-piperazinyl}-1,3-dihydro-2H-isoindol-2-yl)butyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-{4-[(1R)-1-phenylethyl]-1-piperazinyl}-1,3-dihydro-2H-isoindol-2-yl)butyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[4-[1,3-dihydro-1,3-dioxo-4-[4-[(1R)-1-phenylethyl]-1-piperazinyl]-2H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 769.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 419.1±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 180.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 625.39
ACD/KOC (pH 5.5): 1802.87
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5731.57
ACD/KOC (pH 7.4): 16522.99
Polar Surface Area: 101 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 532.9±3.0 cm3

Click to predict properties on the Chemicalize site


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