ChemSpider 2D Image | 4-[(1Z)-2-(Benzoylamino)-3-(4-morpholinyl)-3-oxo-1-propen-1-yl]phenyl 4-methylbenzenesulfonate | C27H26N2O6S

4-[(1Z)-2-(Benzoylamino)-3-(4-morpholinyl)-3-oxo-1-propen-1-yl]phenyl 4-methylbenzenesulfonate

  • Molecular FormulaC27H26N2O6S
  • Average mass506.570 Da
  • Monoisotopic mass506.151154 Da
  • ChemSpider ID4743911

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(1Z)-2-(Benzoylamino)-3-(4-morpholinyl)-3-oxo-1-propen-1-yl]phenyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
4-[(1Z)-2-(Benzoylamino)-3-(4-morpholinyl)-3-oxo-1-propen-1-yl]phenyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
4-[(1Z)-2-(Benzoylamino)-3-(morpholin-4-yl)-3-oxoprop-1-en-1-yl]phenyl 4-methylbenzenesulfonate
4-Méthylbenzènesulfonate de 4-[(1Z)-2-(benzoylamino)-3-(4-morpholinyl)-3-oxo-1-propén-1-yl]phényle [French] [ACD/IUPAC Name]
Benzamide, N-[(Z)-2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]-1-(4-morpholinylcarbonyl)ethenyl]- [ACD/Index Name]
(Z)-4-(2-benzamido-3-morpholino-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate
[4-[(Z)-2-benzamido-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate
371224-50-9 [RN]
4-[(1Z)-3-(MORPHOLIN-4-YL)-3-OXO-2-(PHENYLFORMAMIDO)PROP-1-EN-1-YL]PHENYL 4-METHYLBENZENE-1-SULFONATE
4-[(1Z)-3-(MORPHOLIN-4-YL)-3-OXO-2-(PHENYLFORMAMIDO)PROP-1-EN-1-YL]PHENYL 4-METHYLBENZENESULFONATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 790.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 114.9±3.0 kJ/mol
    Flash Point: 431.7±32.9 °C
    Index of Refraction: 1.626
    Molar Refractivity: 135.5±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 2.76
    ACD/LogD (pH 5.5): 3.01
    ACD/BCF (pH 5.5): 113.59
    ACD/KOC (pH 5.5): 1029.99
    ACD/LogD (pH 7.4): 3.01
    ACD/BCF (pH 7.4): 113.57
    ACD/KOC (pH 7.4): 1029.76
    Polar Surface Area: 110 Å2
    Polarizability: 53.7±0.5 10-24cm3
    Surface Tension: 56.0±3.0 dyne/cm
    Molar Volume: 383.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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