ChemSpider 2D Image | {4-[(1-Benzyl-5-chloro-3-methyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl}(3-fluorophenyl)methanone | C24H26ClFN4O

{4-[(1-Benzyl-5-chloro-3-methyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl}(3-fluorophenyl)methanone

  • Molecular FormulaC24H26ClFN4O
  • Average mass440.941 Da
  • Monoisotopic mass440.177917 Da
  • ChemSpider ID31594737

More details:

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

{4-[(1-Benzyl-5-chlor-3-methyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl}(3-fluorphenyl)methanon [German] [ACD/IUPAC Name]
{4-[(1-Benzyl-5-chloro-3-methyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl}(3-fluorophenyl)methanone [ACD/IUPAC Name]
{4-[(1-Benzyl-5-chloro-3-méthyl-1H-pyrazol-4-yl)méthyl]-1,4-diazépan-1-yl}(3-fluorophényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[[5-chloro-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]methyl]hexahydro-1H-1,4-diazepin-1-yl](3-fluorophenyl)- [ACD/Index 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: 597.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 315.1±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 123.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 171.87
ACD/KOC (pH 5.5): 980.60
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 562.93
ACD/KOC (pH 7.4): 3211.72
Polar Surface Area: 41 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 350.3±7.0 cm3

Click to predict properties on the Chemicalize site


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