ChemSpider 2D Image | 2-[(1Z)-5,6-Diethoxy-7-fluoro-1-imino-1,3-dihydro-2H-isoindol-2-yl]-1-[4-methoxy-3-(2-methyl-2-propanyl)-5-(4-morpholinyl)phenyl]ethanone | C29H38FN3O5

2-[(1Z)-5,6-Diethoxy-7-fluoro-1-imino-1,3-dihydro-2H-isoindol-2-yl]-1-[4-methoxy-3-(2-methyl-2-propanyl)-5-(4-morpholinyl)phenyl]ethanone

  • Molecular FormulaC29H38FN3O5
  • Average mass527.628 Da
  • Monoisotopic mass527.279541 Da
  • ChemSpider ID8634978
  • Double-bond stereo - Double-bond stereo


More details:






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

2-[(1Z)-5,6-Diethoxy-7-fluor-1-imino-1,3-dihydro-2H-isoindol-2-yl]-1-[4-methoxy-3-(2-methyl-2-propanyl)-5-(4-morpholinyl)phenyl]ethanon [German] [ACD/IUPAC Name]
2-[(1Z)-5,6-Diethoxy-7-fluoro-1-imino-1,3-dihydro-2H-isoindol-2-yl]-1-[4-methoxy-3-(2-methyl-2-propanyl)-5-(4-morpholinyl)phenyl]ethanone [ACD/IUPAC Name]
2-[(1Z)-5,6-Diéthoxy-7-fluoro-1-imino-1,3-dihydro-2H-isoindol-2-yl]-1-[4-méthoxy-3-(2-méthyl-2-propanyl)-5-(4-morpholinyl)phényl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[(1Z)-5,6-diethoxy-7-fluoro-1,3-dihydro-1-imino-2H-isoindol-2-yl]-1-[3-(1,1-dimethylethyl)-4-methoxy-5-(4-morpholinyl)phenyl]- [ACD/Index Name]
1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone
1-(3-tert-butyl-4-methoxy-5-morpholin-4-yl-phenyl)-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone
1-(3-tert-butyl-4-methoxy-5-morpholinophenyl)-2-(5,6-diethoxy-7-fluoro-1-imino-2-isoindolinyl)ethanone
1-(3-tert-butyl-4-methoxy-5-morpholino-phenyl)-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone
751475-53-3 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 671.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.6±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 141.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 15.14
ACD/KOC (pH 5.5): 80.18
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 384.87
ACD/KOC (pH 7.4): 2038.09
Polar Surface Area: 84 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 40.4±7.0 dyne/cm
Molar Volume: 429.4±7.0 cm3

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