ChemSpider 2D Image | (2R,4R)-N~1~-(4-Chlorophenyl)-N~2~-[3-fluoro-2'-(methylsulfonyl)-4-biphenylyl]-4-methoxy-1,2-pyrrolidinedicarboxamide | C26H25ClFN3O5S

(2R,4R)-N1-(4-Chlorophenyl)-N2-[3-fluoro-2'-(methylsulfonyl)-4-biphenylyl]-4-methoxy-1,2-pyrrolidinedicarboxamide

  • Molecular FormulaC26H25ClFN3O5S
  • Average mass546.010 Da
  • Monoisotopic mass545.118774 Da
  • ChemSpider ID20572542

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,4R)-N1-(4-Chlorophenyl)-N2-[3-fluoro-2'-(methylsulfonyl)-4-biphenylyl]-4-methoxy-1,2-pyrrolidinedicarboxamide [ACD/IUPAC Name]
(2R,4R)-N1-(4-Chlorophényl)-N2-[3-fluoro-2'-(méthylsulfonyl)-4-biphénylyl]-4-méthoxy-1,2-pyrrolidinedicarboxamide [French] [ACD/IUPAC Name]
(2r,4r)-N1-(4-Chlorophenyl)-N2-[3-Fluoro-2'-(Methylsulfonyl)biphenyl-4-Yl]-4-Methoxypyrrolidine-1,2-Dicarboxamide
(2R,4R)-N1-(4-Chlorphenyl)-N2-[3-fluor-2'-(methylsulfonyl)-4-biphenylyl]-4-methoxy-1,2-pyrrolidindicarboxamid [German] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxamide, N1-(4-chlorophenyl)-N2-[3-fluoro-2'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]-4-methoxy-, (2R,4R)- [ACD/Index Name]

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

237 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 817.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 448.2±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 138.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.61
ACD/KOC (pH 5.5): 1131.95
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.60
ACD/KOC (pH 7.4): 1131.93
Polar Surface Area: 113 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 376.9±5.0 cm3

Click to predict properties on the Chemicalize site


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