ChemSpider 2D Image | (3S,4S)-N-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl}-1-[1-(dimethylcarbamoyl)-3-azetidinyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-4-piperidinecarboxamide | C30H35F7N4O2

(3S,4S)-N-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl}-1-[1-(dimethylcarbamoyl)-3-azetidinyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-4-piperidinecarboxamide

  • Molecular FormulaC30H35F7N4O2
  • Average mass616.613 Da
  • Monoisotopic mass616.264832 Da
  • ChemSpider ID9853630

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,4S)-N-{(1R)-1-[3,5-Bis(trifluormethyl)phenyl]ethyl}-1-[1-(dimethylcarbamoyl)-3-azetidinyl]-3-(4-fluor-2-methylphenyl)-N-methyl-4-piperidincarboxamid [German] [ACD/IUPAC Name]
(3S,4S)-N-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl}-1-[1-(dimethylcarbamoyl)-3-azetidinyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-4-piperidinecarboxamide [ACD/IUPAC Name]
(3S,4S)-N-{(1R)-1-[3,5-Bis(trifluorométhyl)phényl]éthyl}-1-[1-(diméthylcarbamoyl)-3-azétidinyl]-3-(4-fluoro-2-méthylphényl)-N-méthyl-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-[1-[(dimethylamino)carbonyl]-3-azetidinyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-, (3S,4S)- [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: 606.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 320.6±31.5 °C
Index of Refraction: 1.528
Molar Refractivity: 145.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1000.33
ACD/KOC (pH 5.5): 2706.56
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7352.26
ACD/KOC (pH 7.4): 19892.70
Polar Surface Area: 47 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 472.9±3.0 cm3

Click to predict properties on the Chemicalize site


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