ChemSpider 2D Image | 2-[2,2,6,6-Tetramethyl-1-(1-phenylethoxy)-4-piperidinyl]-1H-benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione | C35H34N2O3S

2-[2,2,6,6-Tetramethyl-1-(1-phenylethoxy)-4-piperidinyl]-1H-benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione

  • Molecular FormulaC35H34N2O3S
  • Average mass562.721 Da
  • Monoisotopic mass562.229004 Da
  • ChemSpider ID26286995

More details:

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

1H-Benzo[3,4][2]benzothiopyrano[7,8,1-def]isoquinoline-1,3(2H)-dione, 2-[2,2,6,6-tetramethyl-1-(1-phenylethoxy)-4-piperidinyl]- [ACD/Index Name]
2-[2,2,6,6-Tetramethyl-1-(1-phenylethoxy)-4-piperidinyl]-1H-benzo[3,4]isothiochromeno[7,8,1-def]isochinolin-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[2,2,6,6-Tétraméthyl-1-(1-phényléthoxy)-4-pipéridinyl]-1H-benzo[3,4]isothiochroméno[7,8,1-def]isoquinoléine-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-[2,2,6,6-Tetramethyl-1-(1-phenylethoxy)-4-piperidinyl]-1H-benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 709.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 382.9±35.7 °C
Index of Refraction: 1.711
Molar Refractivity: 165.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 7.65
ACD/BCF (pH 5.5): 386033.16
ACD/KOC (pH 5.5): 346850.28
ACD/LogD (pH 7.4): 7.66
ACD/BCF (pH 7.4): 387074.28
ACD/KOC (pH 7.4): 347785.72
Polar Surface Area: 75 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 423.2±5.0 cm3

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