ChemSpider 2D Image | 4-[4-({4-[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl}oxy)methyl]phenyl}methyl)piperazin-1-yl]-3-fluorobenzonitrile | C32H30FN5O4

4-[4-({4-[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl}oxy)methyl]phenyl}methyl)piperazin-1-yl]-3-fluorobenzonitrile

  • Molecular FormulaC32H30FN5O4
  • Average mass567.610 Da
  • Monoisotopic mass567.228210 Da
  • ChemSpider ID84451594

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2259648-80-9 [RN]
4-(4-{4-[({2-[(3S)-2,6-Dioxo-3-piperidinyl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}oxy)methyl]benzyl}-1-piperazinyl)-3-fluorbenzonitril [German] [ACD/IUPAC Name]
4-(4-{4-[({2-[(3S)-2,6-Dioxo-3-piperidinyl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}oxy)methyl]benzyl}-1-piperazinyl)-3-fluorobenzonitrile [ACD/IUPAC Name]
4-(4-{4-[({2-[(3S)-2,6-Dioxo-3-pipéridinyl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}oxy)méthyl]benzyl}-1-pipérazinyl)-3-fluorobenzonitrile [French] [ACD/IUPAC Name]
4-[4-({4-[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}oxy)methyl]phenyl}methyl)piperazin-1-yl]-3-fluorobenzonitrile
4-[4-({4-[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl}oxy)methyl]phenyl}methyl)piperazin-1-yl]-3-fluorobenzonitrile
Benzonitrile, 4-[4-[[4-[[[2-[(3S)-2,6-dioxo-3-piperidinyl]-2,3-dihydro-1-oxo-1H-isoindol-4-yl]oxy]methyl]phenyl]methyl]-1-piperazinyl]-3-fluoro- [ACD/Index Name]
(S)-4-(4-(4-(((2-(2,6-Dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)oxy)methyl)benzyl)piperazin-1-yl)-3-fluorobenzonitrile
4-[4-[[4-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]-3-fluorobenzonitrile
CC-92480
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 833.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 457.6±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 152.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 60.10
ACD/KOC (pH 5.5): 494.67
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 156.36
ACD/KOC (pH 7.4): 1286.91
Polar Surface Area: 106 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 399.9±5.0 cm3

Click to predict properties on the Chemicalize site


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