ChemSpider 2D Image | 3-[4-(Cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanamide | C26H39N5O

3-[4-(Cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanamide

  • Molecular FormulaC26H39N5O
  • Average mass437.621 Da
  • Monoisotopic mass437.315460 Da
  • ChemSpider ID30494836

More details:

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

1H-1,4-Diazepine-1-propanamide, 4-(cyclohexylmethyl)-N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)hexahydro- [ACD/Index Name]
3-[4-(Cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanamid [German] [ACD/IUPAC Name]
3-[4-(Cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanamide [ACD/IUPAC Name]
3-[4-(Cyclohexylméthyl)-1,4-diazépan-1-yl]-N-(3,5-diméthyl-1-phényl-1H-pyrazol-4-yl)propanamide [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: 599.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.4±30.1 °C
Index of Refraction: 1.616
Molar Refractivity: 130.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.76
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 10.86
ACD/KOC (pH 7.4): 53.76
Polar Surface Area: 53 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 374.1±7.0 cm3

Click to predict properties on the Chemicalize site


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