ChemSpider 2D Image | 5-Cyclopropyl-4-{[(3R)-1-(2,4-diethoxybenzyl)-3-piperidinyl]oxy}-2-fluoro-N-(methylsulfonyl)benzamide | C27H35FN2O6S

5-Cyclopropyl-4-{[(3R)-1-(2,4-diethoxybenzyl)-3-piperidinyl]oxy}-2-fluoro-N-(methylsulfonyl)benzamide

  • Molecular FormulaC27H35FN2O6S
  • Average mass534.640 Da
  • Monoisotopic mass534.219971 Da
  • ChemSpider ID128997654

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-Cyclopropyl-4-{[(3R)-1-(2,4-diethoxybenzyl)-3-piperidinyl]oxy}-2-fluor-N-(methylsulfonyl)benzamid [German] [ACD/IUPAC Name]
5-Cyclopropyl-4-{[(3R)-1-(2,4-diethoxybenzyl)-3-piperidinyl]oxy}-2-fluoro-N-(methylsulfonyl)benzamide [ACD/IUPAC Name]
5-Cyclopropyl-4-{[(3R)-1-(2,4-diéthoxybenzyl)-3-pipéridinyl]oxy}-2-fluoro-N-(méthylsulfonyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 5-cyclopropyl-4-[[(3R)-1-[(2,4-diethoxyphenyl)methyl]-3-piperidinyl]oxy]-2-fluoro-N-(methylsulfonyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.574
Molar Refractivity: 138.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.70
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 7.57
Polar Surface Area: 103 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 419.9±3.0 cm3

Click to predict properties on the Chemicalize site


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