ChemSpider 2D Image | 5-Amino-2-(1,3-benzodioxol-5-yl)-11b,11c-dihydro-6H-chromeno[4',3':4,5]thiopyrano[2,3-c]pyrrole-1,3,6(2H,3aH)-trione | C21H14N2O6S

5-Amino-2-(1,3-benzodioxol-5-yl)-11b,11c-dihydro-6H-chromeno[4',3':4,5]thiopyrano[2,3-c]pyrrole-1,3,6(2H,3aH)-trione

  • Molecular FormulaC21H14N2O6S
  • Average mass422.411 Da
  • Monoisotopic mass422.057251 Da
  • ChemSpider ID29350940

More details:

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

5-Amino-2-(1,3-benzodioxol-5-yl)-11b,11c-dihydro-6H-chromeno[4',3':4,5]thiopyrano[2,3-c]pyrrol-1,3,6(2H,3aH)-trion [German] [ACD/IUPAC Name]
5-Amino-2-(1,3-benzodioxol-5-yl)-11b,11c-dihydro-6H-chromeno[4',3':4,5]thiopyrano[2,3-c]pyrrole-1,3,6(2H,3aH)-trione [ACD/IUPAC Name]
5-Amino-2-(1,3-benzodioxol-5-yl)-11b,11c-dihydro-6H-chroméno[4',3':4,5]thiopyrano[2,3-c]pyrrole-1,3,6(2H,3aH)-trione [French] [ACD/IUPAC Name]
6H-[1]Benzopyrano[4',3':4,5]thiopyrano[2,3-c]pyrrole-1,3,6(2H,3aH)-trione, 5-amino-2-(1,3-benzodioxol-5-yl)-11b,11c-dihydro- [ACD/Index Name]
1436001-38-5 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 739.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.9±32.9 °C
Index of Refraction: 1.793
Molar Refractivity: 105.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 76.96
ACD/KOC (pH 5.5): 779.44
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 76.96
ACD/KOC (pH 7.4): 779.46
Polar Surface Area: 133 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 94.3±5.0 dyne/cm
Molar Volume: 248.3±5.0 cm3

Click to predict properties on the Chemicalize site


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