ChemSpider 2D Image | 2-(Dicyclohexylamino)-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one | C27H33N3OS2

2-(Dicyclohexylamino)-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

  • Molecular FormulaC27H33N3OS2
  • Average mass479.700 Da
  • Monoisotopic mass479.206512 Da
  • ChemSpider ID30656581

More details:

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

2-(Dicyclohexylamino)-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-(Dicyclohexylamino)-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one [ACD/IUPAC Name]
2-(Dicyclohexylamino)-3-phényl-3,5,6,8-tétrahydro-4H-thiopyrano[4',3':4,5]thiéno[2,3-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-(dicyclohexylamino)-3,5,6,8-tetrahydro-3-phenyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 670.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.3±34.3 °C
Index of Refraction: 1.731
Molar Refractivity: 139.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 6.19
ACD/BCF (pH 5.5): 29786.57
ACD/KOC (pH 5.5): 55473.47
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 29787.32
ACD/KOC (pH 7.4): 55474.87
Polar Surface Area: 89 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 348.3±7.0 cm3

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