ChemSpider 2D Image | (2E)-3-{3-[3-(4-Morpholinylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(4-oxo-1,4-dihydro-2-quinazolinyl)acrylonitrile | C30H24N6O4S

(2E)-3-{3-[3-(4-Morpholinylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(4-oxo-1,4-dihydro-2-quinazolinyl)acrylonitrile

  • Molecular FormulaC30H24N6O4S
  • Average mass564.614 Da
  • Monoisotopic mass564.157959 Da
  • ChemSpider ID2221275

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{3-[3-(4-Morpholinylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(4-oxo-1,4-dihydro-2-chinazolinyl)acrylonitril [German] [ACD/IUPAC Name]
(2E)-3-{3-[3-(4-Morpholinylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(4-oxo-1,4-dihydro-2-quinazolinyl)acrylonitrile [ACD/IUPAC Name]
(2E)-3-{3-[3-(4-Morpholinylsulfonyl)phényl]-1-phényl-1H-pyrazol-4-yl}-2-(4-oxo-1,4-dihydro-2-quinazolinyl)acrylonitrile [French] [ACD/IUPAC Name]
(2E)-3-{3-[3-(Morpholin-4-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(4-oxo-3,4-dihydroquinazolin-2-yl)acrylonitrile
2-Quinazolineacetonitrile, 1,4-dihydro-α-[[3-[3-(4-morpholinylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl]methylene]-4-oxo-, (αE)- [ACD/Index Name]
2-quinazolineacetonitrile, 3,4-dihydro-α-[[3-[3-(4-morpholinylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl]methylene]-4-oxo-, (αE)-
(2E)-3-{3-[3-(MORPHOLINE-4-SULFONYL)PHENYL]-1-PHENYLPYRAZOL-4-YL}-2-(4-OXO-3H-QUINAZOLIN-2-YL)PROP-2-ENENITRILE
3-{3-[3-(4-morpholinylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(4-oxo-3,4-dihydro-2-quinazolinyl)acrylonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 825.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 453.1±37.1 °C
Index of Refraction: 1.711
Molar Refractivity: 156.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 908.81
ACD/KOC (pH 5.5): 4563.25
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 908.81
ACD/KOC (pH 7.4): 4563.25
Polar Surface Area: 138 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 62.4±7.0 dyne/cm
Molar Volume: 400.1±7.0 cm3

Click to predict properties on the Chemicalize site


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