ChemSpider 2D Image | N-[(1R)-1-(2-Chlorophenyl)propyl]-3-{4-[(1-methyl-4-piperidinyl)oxy]phenyl}-1H-indazole-5-carboxamide | C29H31ClN4O2

N-[(1R)-1-(2-Chlorophenyl)propyl]-3-{4-[(1-methyl-4-piperidinyl)oxy]phenyl}-1H-indazole-5-carboxamide

  • Molecular FormulaC29H31ClN4O2
  • Average mass503.035 Da
  • Monoisotopic mass502.213562 Da
  • ChemSpider ID35034903
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Indazole-5-carboxamide, N-[(1R)-1-(2-chlorophenyl)propyl]-3-[4-[(1-methyl-4-piperidinyl)oxy]phenyl]- [ACD/Index Name]
N-[(1R)-1-(2-Chlorophenyl)propyl]-3-{4-[(1-methyl-4-piperidinyl)oxy]phenyl}-1H-indazole-5-carboxamide [ACD/IUPAC Name]
N-[(1R)-1-(2-Chlorophényl)propyl]-3-{4-[(1-méthyl-4-pipéridinyl)oxy]phényl}-1H-indazole-5-carboxamide [French] [ACD/IUPAC Name]
N-[(1r)-1-(2-Chlorophenyl)propyl]-3-{4-[(1-Methylpiperidin-4-Yl)oxy]phenyl}-1h-Indazole-5-Carboxamide
N-[(1R)-1-(2-Chlorphenyl)propyl]-3-{4-[(1-methyl-4-piperidinyl)oxy]phenyl}-1H-indazol-5-carboxamid [German] [ACD/IUPAC Name]
2QK

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

Density: 1.2±0.1 g/cm3
Boiling Point: 737.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 399.8±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 144.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 37.98
ACD/KOC (pH 5.5): 89.01
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 1885.77
ACD/KOC (pH 7.4): 4419.24
Polar Surface Area: 70 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 404.7±3.0 cm3

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