ChemSpider 2D Image | 2-Methyl-2-propanyl (6-{(E)-2-[4-(4-fluorophenyl)-6-isopropyl-2-(methylsulfonyl)-5-pyrimidinyl]vinyl}-2,2-dimethyl-1,3-dioxan-4-yl)acetate | C28H37FN2O6S

2-Methyl-2-propanyl (6-{(E)-2-[4-(4-fluorophenyl)-6-isopropyl-2-(methylsulfonyl)-5-pyrimidinyl]vinyl}-2,2-dimethyl-1,3-dioxan-4-yl)acetate

  • Molecular FormulaC28H37FN2O6S
  • Average mass548.667 Da
  • Monoisotopic mass548.235657 Da
  • ChemSpider ID28567964

  • Double-bond stereo - Double-bond stereo

More details:

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

(6-{(E)-2-[4-(4-Fluorophényl)-6-isopropyl-2-(méthylsulfonyl)-5-pyrimidinyl]vinyl}-2,2-diméthyl-1,3-dioxan-4-yl)acétate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1,3-Dioxane-4-acetic acid, 6-[(E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methylsulfonyl)-5-pyrimidinyl]ethenyl]-2,2-dimethyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl (6-{(E)-2-[4-(4-fluorophenyl)-6-isopropyl-2-(methylsulfonyl)-5-pyrimidinyl]vinyl}-2,2-dimethyl-1,3-dioxan-4-yl)acetate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(6-{(E)-2-[4-(4-fluorphenyl)-6-isopropyl-2-(methylsulfonyl)-5-pyrimidinyl]vinyl}-2,2-dimethyl-1,3-dioxan-4-yl)acetat [German] [ACD/IUPAC Name]
849470-63-9 [RN]
tert-Butyl-7-[4-(4-fluorophenyl)-6-isopropyl-2-methylsulfonylpyrimidin-5-yl]-(3R,5S)-isopropylidene-(E)-6-heptenoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 663.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.0±34.3 °C
Index of Refraction: 1.532
Molar Refractivity: 142.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 702.39
ACD/KOC (pH 5.5): 3794.74
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 702.39
ACD/KOC (pH 7.4): 3794.74
Polar Surface Area: 113 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 460.0±3.0 cm3

Click to predict properties on the Chemicalize site


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