ChemSpider 2D Image | tradipitant | C28H16ClF6N5O

tradipitant

  • Molecular FormulaC28H16ClF6N5O
  • Average mass587.903 Da
  • Monoisotopic mass587.094727 Da
  • ChemSpider ID8092108

More details:






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

(2-{1-[3,5-Bis(trifluormethyl)benzyl]-5-(4-pyridinyl)-1H-1,2,3-triazol-4-yl}-3-pyridinyl)(2-chlorphenyl)methanon [German] [ACD/IUPAC Name]
(2-{1-[3,5-Bis(trifluoromethyl)benzyl]-5-(4-pyridinyl)-1H-1,2,3-triazol-4-yl}-3-pyridinyl)(2-chlorophenyl)methanone [ACD/IUPAC Name]
(2-{1-[3,5-Bis(trifluorométhyl)benzyl]-5-(4-pyridinyl)-1H-1,2,3-triazol-4-yl}-3-pyridinyl)(2-chlorophényl)méthanone [French] [ACD/IUPAC Name]
622370-35-8 [RN]
9996
Methanone, [2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]-3-pyridinyl](2-chlorophenyl)- [ACD/Index Name]
NY0COC51FI
tradipitant [French] [INN]
tradipitant [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

VLY-686 [DBID]
LY-686017 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 640.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.4±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 140.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5971.68
ACD/KOC (pH 5.5): 17546.80
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5987.20
ACD/KOC (pH 7.4): 17592.38
Polar Surface Area: 74 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 404.3±7.0 cm3

Click to predict properties on the Chemicalize site






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