ChemSpider 2D Image | N-(5-Bromo-2-pyridinyl)-2-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]acetamide | C20H25BrN4O

N-(5-Bromo-2-pyridinyl)-2-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]acetamide

  • Molecular FormulaC20H25BrN4O
  • Average mass417.343 Da
  • Monoisotopic mass416.121155 Da
  • ChemSpider ID30195585

More details:

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

1H-1,4-Diazepine-1-acetamide, N-(5-bromo-2-pyridinyl)hexahydro-4-[(2-methylphenyl)methyl]- [ACD/Index Name]
N-(5-Brom-2-pyridinyl)-2-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]acetamid [German] [ACD/IUPAC Name]
N-(5-Bromo-2-pyridinyl)-2-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]acetamide [ACD/IUPAC Name]
N-(5-Bromo-2-pyridinyl)-2-[4-(2-méthylbenzyl)-1,4-diazépan-1-yl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 563.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.7±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 108.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.84
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 45.89
ACD/KOC (pH 7.4): 349.61
Polar Surface Area: 48 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 308.8±3.0 cm3

Click to predict properties on the Chemicalize site


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