ChemSpider 2D Image | (4aS)-6,6-Dimethyl-2-[(2-methylphenyl)sulfonyl]tetrahydropyrrolo[1,2-c]pyrimidine-1,3(2H,4H)-dione | C16H20N2O4S

(4aS)-6,6-Dimethyl-2-[(2-methylphenyl)sulfonyl]tetrahydropyrrolo[1,2-c]pyrimidine-1,3(2H,4H)-dione

  • Molecular FormulaC16H20N2O4S
  • Average mass336.406 Da
  • Monoisotopic mass336.114380 Da
  • ChemSpider ID30659098

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4aS)-6,6-Dimethyl-2-[(2-methylphenyl)sulfonyl]tetrahydropyrrolo[1,2-c]pyrimidin-1,3(2H,4H)-dion [German] [ACD/IUPAC Name]
(4aS)-6,6-Dimethyl-2-[(2-methylphenyl)sulfonyl]tetrahydropyrrolo[1,2-c]pyrimidine-1,3(2H,4H)-dione [ACD/IUPAC Name]
(4aS)-6,6-Diméthyl-2-[(2-méthylphényl)sulfonyl]tétrahydropyrrolo[1,2-c]pyrimidine-1,3(2H,4H)-dione [French] [ACD/IUPAC Name]
Pyrrolo[1,2-c]pyrimidine-1,3(2H,4H)-dione, tetrahydro-6,6-dimethyl-2-[(2-methylphenyl)sulfonyl]-, (4aS)- [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: 470.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 238.5±26.8 °C
Index of Refraction: 1.622
Molar Refractivity: 85.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.62
ACD/KOC (pH 5.5): 271.38
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.62
ACD/KOC (pH 7.4): 271.38
Polar Surface Area: 83 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 243.4±5.0 cm3

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