ChemSpider 2D Image | 3-[2-(4-Morpholinyl)-2-oxoethyl]-6-(4-nitrophenyl)-8-phenyl-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione | C26H22N4O7S2

3-[2-(4-Morpholinyl)-2-oxoethyl]-6-(4-nitrophenyl)-8-phenyl-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione

  • Molecular FormulaC26H22N4O7S2
  • Average mass566.606 Da
  • Monoisotopic mass566.093018 Da
  • ChemSpider ID11709049

More details:

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

3-[2-(4-Morpholinyl)-2-oxoethyl]-6-(4-nitrophenyl)-8-phenyl-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-2,5,7(6H)-trion [German] [ACD/IUPAC Name]
3-[2-(4-Morpholinyl)-2-oxoethyl]-6-(4-nitrophenyl)-8-phenyl-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione [ACD/IUPAC Name]
3-[2-(4-Morpholinyl)-2-oxoéthyl]-6-(4-nitrophényl)-8-phényl-3,4a,7a,8-tétrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione [French] [ACD/IUPAC Name]
Pyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(6H)-trione, 3,4a,7a,8-tetrahydro-3-[2-(4-morpholinyl)-2-oxoethyl]-6-(4-nitrophenyl)-8-phenyl- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 901.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±3.0 kJ/mol
Flash Point: 498.8±37.1 °C
Index of Refraction: 1.760
Molar Refractivity: 143.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 79.96
ACD/KOC (pH 5.5): 801.11
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 79.96
ACD/KOC (pH 7.4): 801.11
Polar Surface Area: 184 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 90.8±5.0 dyne/cm
Molar Volume: 348.7±5.0 cm3

Click to predict properties on the Chemicalize site


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