ChemSpider 2D Image | 5-[(3,4-Difluorobenzyl)amino]-1-isobutyl-N,N-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide | C21H28F2N4O

5-[(3,4-Difluorobenzyl)amino]-1-isobutyl-N,N-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

  • Molecular FormulaC21H28F2N4O
  • Average mass390.470 Da
  • Monoisotopic mass390.223114 Da
  • ChemSpider ID22175356

More details:

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

1H-Indazole-3-carboxamide, 5-[[(3,4-difluorophenyl)methyl]amino]-4,5,6,7-tetrahydro-N,N-dimethyl-1-(2-methylpropyl)- [ACD/Index Name]
5-[(3,4-Difluorbenzyl)amino]-1-isobutyl-N,N-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
5-[(3,4-Difluorobenzyl)amino]-1-isobutyl-N,N-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide [ACD/IUPAC Name]
5-[(3,4-Difluorobenzyl)amino]-1-isobutyl-N,N-diméthyl-4,5,6,7-tétrahydro-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 556.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.3±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 105.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.39
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 24.80
ACD/KOC (pH 7.4): 254.57
Polar Surface Area: 50 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 38.2±7.0 dyne/cm
Molar Volume: 315.6±7.0 cm3

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