ChemSpider 2D Image | 4-(4-{5-[Bis(4-chlorophenyl)methyl]octahydro-1H-indazol-3-yl}-1-piperidinyl)-4-oxobutanamide | C29H36Cl2N4O2

4-(4-{5-[Bis(4-chlorophenyl)methyl]octahydro-1H-indazol-3-yl}-1-piperidinyl)-4-oxobutanamide

  • Molecular FormulaC29H36Cl2N4O2
  • Average mass543.528 Da
  • Monoisotopic mass542.221558 Da
  • ChemSpider ID129149597

More details:

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

1-Piperidinebutanamide, 4-[5-[bis(4-chlorophenyl)methyl]octahydro-1H-indazol-3-yl]-γ-oxo- [ACD/Index Name]
4-(4-{5-[Bis(4-chlorophenyl)methyl]octahydro-1H-indazol-3-yl}-1-piperidinyl)-4-oxobutanamide [ACD/IUPAC Name]
4-(4-{5-[Bis(4-chlorophényl)méthyl]octahydro-1H-indazol-3-yl}-1-pipéridinyl)-4-oxobutanamide [French] [ACD/IUPAC Name]
4-(4-{5-[Bis(4-chlorphenyl)methyl]octahydro-1H-indazol-3-yl}-1-piperidinyl)-4-oxobutanamid [German] [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: 736.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.3±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 147.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 1.94
ACD/KOC (pH 5.5): 7.87
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 33.37
ACD/KOC (pH 7.4): 135.24
Polar Surface Area: 87 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 435.0±3.0 cm3

Click to predict properties on the Chemicalize site


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