ChemSpider 2D Image | (2R,3S,5R)-5-[2-(Methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2H-pyran-3-amine | C17H19F3N4O3S

(2R,3S,5R)-5-[2-(Methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2H-pyran-3-amine

  • Molecular FormulaC17H19F3N4O3S
  • Average mass416.418 Da
  • Monoisotopic mass416.113007 Da
  • ChemSpider ID28424193

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3S,5R)-5-[2-(Methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2H-pyran-3-amine [ACD/IUPAC Name]
(2R,3S,5R)-5-[2-(Méthylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,4,5-trifluorophényl)tétrahydro-2H-pyran-3-amine [French] [ACD/IUPAC Name]
(2R,3S,5R)-5-[2-(Methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,4,5-trifluorphenyl)tetrahydro-2H-pyran-3-amin [German] [ACD/IUPAC Name]
(2R,3S,5R)-5-[2,6-Dihydro-2-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2-(2,4,5-trifluorophenyl)-2H-pyran-3-amine
1226781-45-8 [RN]
2H-Pyran-3-amine, 5-[2,6-dihydro-2-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2-(2,4,5-trifluorophenyl)-, (2R,3S,5R)- [ACD/Index Name]
2VH
mk-1705

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

Density: 1.7±0.1 g/cm3
Boiling Point: 523.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.4±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 94.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.57
Polar Surface Area: 99 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 249.8±7.0 cm3

Click to predict properties on the Chemicalize site


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