ChemSpider 2D Image | (1R)-1-[3-(Allyloxy)phenyl]-2-(1,3-thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione | C23H16N2O4S

(1R)-1-[3-(Allyloxy)phenyl]-2-(1,3-thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

  • Molecular FormulaC23H16N2O4S
  • Average mass416.449 Da
  • Monoisotopic mass416.083069 Da
  • ChemSpider ID62531085

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-1-[3-(Allyloxy)phenyl]-2-(1,3-thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrol-3,9-dion [German] [ACD/IUPAC Name]
(1R)-1-[3-(Allyloxy)phenyl]-2-(1,3-thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione [ACD/IUPAC Name]
(1R)-1-[3-(Allyloxy)phényl]-2-(1,3-thiazol-2-yl)-1,2-dihydrochroméno[2,3-c]pyrrole-3,9-dione [French] [ACD/IUPAC Name]
[1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 1,2-dihydro-1-[3-(2-propen-1-yloxy)phenyl]-2-(2-thiazolyl)-, (1R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 593.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.4±32.9 °C
Index of Refraction: 1.711
Molar Refractivity: 111.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 356.38
ACD/KOC (pH 5.5): 2333.69
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 357.01
ACD/KOC (pH 7.4): 2337.82
Polar Surface Area: 97 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 72.4±5.0 dyne/cm
Molar Volume: 286.0±5.0 cm3

Click to predict properties on the Chemicalize site


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