ChemSpider 2D Image | 5-Amino-N-[(2S)-2-{[(2,6-dichlorobenzoyl)(ethyl)amino]methyl}-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide | C23H21Cl2F4N5O3

5-Amino-N-[(2S)-2-{[(2,6-dichlorobenzoyl)(ethyl)amino]methyl}-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

  • Molecular FormulaC23H21Cl2F4N5O3
  • Average mass562.344 Da
  • Monoisotopic mass561.095764 Da
  • ChemSpider ID25061096

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrazole-4-carboxamide, 5-amino-N-[(2S)-2-[[(2,6-dichlorobenzoyl)ethylamino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)- [ACD/Index Name]
5-Amino-N-[(2s)-2-({[(2,6-Dichlorophenyl)carbonyl](Ethyl)amino}methyl)-3,3,3-Trifluoro-2-Hydroxypropyl]-1-(4-Fluorophenyl)-1h-Pyrazole-4-Carboxamide
5-Amino-N-[(2S)-2-{[(2,6-dichlorbenzoyl)(ethyl)amino]methyl}-3,3,3-trifluor-2-hydroxypropyl]-1-(4-fluorphenyl)-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Amino-N-[(2S)-2-{[(2,6-dichlorobenzoyl)(ethyl)amino]methyl}-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
5-Amino-N-[(2S)-2-{[(2,6-dichlorobenzoyl)(éthyl)amino]méthyl}-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophényl)-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
960248-81-1 [RN]
GSK866

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

866 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 761.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 414.2±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 129.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.85
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6316.88
ACD/KOC (pH 5.5): 18279.16
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6188.80
ACD/KOC (pH 7.4): 17908.55
Polar Surface Area: 113 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 376.5±7.0 cm3

Click to predict properties on the Chemicalize site


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