ChemSpider 2D Image | N-{4-(4-Fluorophenyl)-5-{(E)-2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]vinyl}-6-[(1,1,1,3,3,3-~2~H_6_)-2-propanyl]-2-pyrimidinyl}-N-methylmethanesulfonamide | C22H20D6FN3O5S

N-{4-(4-Fluorophenyl)-5-{(E)-2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]vinyl}-6-[(1,1,1,3,3,3-2H6)-2-propanyl]-2-pyrimidinyl}-N-methylmethanesulfonamide

  • Molecular FormulaC22H20D6FN3O5S
  • Average mass469.559 Da
  • Monoisotopic mass469.195374 Da
  • ChemSpider ID77499239

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Methanesulfonamide, N-[4-(4-fluorophenyl)-6-[1-(methyl-d3)ethyl-2,2,2-d3]-5-[(E)-2-[(2R,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-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]vinyl}-6-[(1,1,1,3,3,3-2H6)-2-propanyl]-2-pyrimidinyl}-N-methylmethanesulfonamide [ACD/IUPAC Name]
N-{4-(4-Fluorophényl)-5-{(E)-2-[(2R,4R)-4-hydroxy-6-oxotétrahydro-2H-pyran-2-yl]vinyl}-6-[(1,1,1,3,3,3-2H6)-2-propanyl]-2-pyrimidinyl}-N-méthylméthanesulfonamide [French] [ACD/IUPAC Name]
N-{4-(4-Fluorphenyl)-5-{(E)-2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]vinyl}-6-[(1,1,1,3,3,3-2H6)-2-propanyl]-2-pyrimidinyl}-N-methylmethansulfonamid [German] [ACD/IUPAC 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: 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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