ChemSpider 2D Image | N-[4-(4-Fluorophenyl)-5-{(E)-2-[(2S,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]vinyl}-6-isopropyl-2-pyrimidinyl]-N-methylmethanesulfonamide | C22H26FN3O5S

N-[4-(4-Fluorophenyl)-5-{(E)-2-[(2S,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]vinyl}-6-isopropyl-2-pyrimidinyl]-N-methylmethanesulfonamide

  • Molecular FormulaC22H26FN3O5S
  • Average mass463.522 Da
  • Monoisotopic mass463.157715 Da
  • ChemSpider ID24599455
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Methanesulfonamide, N-[4-(4-fluorophenyl)-6-(1-methylethyl)-5-[(E)-2-[(2S,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethenyl]-2-pyrimidinyl]-N-methyl- [ACD/Index Name]
N-[4-(4-Fluorophenyl)-5-{(E)-2-[(2S,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]vinyl}-6-isopropyl-2-pyrimidinyl]-N-methylmethanesulfonamide [ACD/IUPAC Name]
N-[4-(4-Fluorophényl)-5-{(E)-2-[(2S,4R)-4-hydroxy-6-oxotétrahydro-2H-pyran-2-yl]vinyl}-6-isopropyl-2-pyrimidinyl]-N-méthylméthanesulfonamide [French] [ACD/IUPAC Name]
N-[4-(4-Fluorphenyl)-5-{(E)-2-[(2S,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]vinyl}-6-isopropyl-2-pyrimidinyl]-N-methylmethansulfonamid [German] [ACD/IUPAC Name]
503610-43-3 [RN]
6-((1E)-2-{6-(4-fluorophenyl)-4-(methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}vinyl)(6S,4R)-4-hydroxy-3H-4,5,6-trihydropyran-2-one
615263-62-2 [RN]
MFCD08063705
N-(4-(4-fluorophenyl)-5-((E)-2-((2S,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)vinyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide
N-[4-(4-fluorophenyl)-5-[(E)-2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 695.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 374.1±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 116.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.22
ACD/KOC (pH 5.5): 170.66
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.22
ACD/KOC (pH 7.4): 170.66
Polar Surface Area: 118 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 65.9±3.0 dyne/cm
Molar Volume: 334.1±3.0 cm3

Click to predict properties on the Chemicalize site






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