ChemSpider 2D Image | 3-Phenyl-2-(1-piperidinyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one | C20H21N3OS2

3-Phenyl-2-(1-piperidinyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

  • Molecular FormulaC20H21N3OS2
  • Average mass383.530 Da
  • Monoisotopic mass383.112610 Da
  • ChemSpider ID24741229

More details:

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

3-Phenyl-2-(1-piperidinyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
3-Phenyl-2-(1-piperidinyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one [ACD/IUPAC Name]
3-Phényl-2-(1-pipéridinyl)-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, 3,5,6,8-tetrahydro-3-phenyl-2-(1-piperidinyl)- [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: 607.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 321.0±34.3 °C
Index of Refraction: 1.765
Molar Refractivity: 109.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 478.64
ACD/KOC (pH 5.5): 2883.72
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 478.64
ACD/KOC (pH 7.4): 2883.74
Polar Surface Area: 89 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 264.5±7.0 cm3

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