ChemSpider 2D Image | Casopitant | C30H35F7N4O2

Casopitant

  • Molecular FormulaC30H35F7N4O2
  • Average mass616.613 Da
  • Monoisotopic mass616.264832 Da
  • ChemSpider ID25069049
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2S,4R)-4-(4-Acetyl-1-piperazinyl)-N-{(1R)-1-[3,5-bis(trifluormethyl)phenyl]ethyl}-2-(4-fluor-2-methylphenyl)-N-methyl-1-piperidincarboxamid [German] [ACD/IUPAC Name]
(2S,4R)-4-(4-Acetyl-1-piperazinyl)-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-1-piperidinecarboxamide [ACD/IUPAC Name]
(2S,4R)-4-(4-Acétyl-1-pipérazinyl)-N-{(1R)-1-[3,5-bis(trifluorométhyl)phényl]éthyl}-2-(4-fluoro-2-méthylphényl)-N-méthyl-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
(2S,4S)-4-(4-Acetyl-1-piperazinyl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-1-piperidinecarboxamide
1-Piperidinecarboxamide, 4-(4-acetyl-1-piperazinyl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-, (2S,4R)- [ACD/Index Name]
Rezonic
Zunrisa
414910-27-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 615.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 326.1±31.5 °C
Index of Refraction: 1.523
Molar Refractivity: 145.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 866.11
ACD/KOC (pH 5.5): 2543.88
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5578.24
ACD/KOC (pH 7.4): 16383.92
Polar Surface Area: 47 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 475.7±3.0 cm3

Click to predict properties on the Chemicalize site





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