ChemSpider 2D Image | N-[(2S)-1-Amino-4-(dimethylamino)-1-oxo-2-butanyl]-5-(2,4-difluorophenoxy)-1-isobutyl-1H-indazole-6-carboxamide | C24H29F2N5O3

N-[(2S)-1-Amino-4-(dimethylamino)-1-oxo-2-butanyl]-5-(2,4-difluorophenoxy)-1-isobutyl-1H-indazole-6-carboxamide

  • Molecular FormulaC24H29F2N5O3
  • Average mass473.516 Da
  • Monoisotopic mass473.223846 Da
  • ChemSpider ID115010416

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indazole-6-carboxamide, N-[(1S)-1-(aminocarbonyl)-3-(dimethylamino)propyl]-5-(2,4-difluorophenoxy)-1-(2-methylpropyl)- [ACD/Index Name]
N-[(2S)-1-Amino-4-(dimethylamino)-1-oxo-2-butanyl]-5-(2,4-difluorophenoxy)-1-isobutyl-1H-indazole-6-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-4-(diméthylamino)-1-oxo-2-butanyl]-5-(2,4-difluorophénoxy)-1-isobutyl-1H-indazole-6-carboxamide [French] [ACD/IUPAC Name]
N-[(2S)-1-Amino-4-(dimethylamino)-1-oxo-2-butanyl]-5-(2,4-difluorphenoxy)-1-isobutyl-1H-indazol-6-carboxamid [German] [ACD/IUPAC 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: 636.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 338.9±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 123.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 2.64
ACD/KOC (pH 7.4): 27.79
Polar Surface Area: 102 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 364.1±7.0 cm3

Click to predict properties on the Chemicalize site


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