ChemSpider 2D Image | N-{6-[4-(4-Fluorobenzyl)-1,4-diazepan-1-yl]-3-pyridinyl}-4-(2-methyl-2-propanyl)benzamide | C28H33FN4O

N-{6-[4-(4-Fluorobenzyl)-1,4-diazepan-1-yl]-3-pyridinyl}-4-(2-methyl-2-propanyl)benzamide

  • Molecular FormulaC28H33FN4O
  • Average mass460.586 Da
  • Monoisotopic mass460.263855 Da
  • ChemSpider ID22784336

More details:

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

Benzamide, 4-(1,1-dimethylethyl)-N-[6-[4-[(4-fluorophenyl)methyl]hexahydro-1H-1,4-diazepin-1-yl]-3-pyridinyl]- [ACD/Index Name]
N-{6-[4-(4-Fluorbenzyl)-1,4-diazepan-1-yl]-3-pyridinyl}-4-(2-methyl-2-propanyl)benzamid [German] [ACD/IUPAC Name]
N-{6-[4-(4-Fluorobenzyl)-1,4-diazepan-1-yl]-3-pyridinyl}-4-(2-methyl-2-propanyl)benzamide [ACD/IUPAC Name]
N-{6-[4-(4-Fluorobenzyl)-1,4-diazépan-1-yl]-3-pyridinyl}-4-(2-méthyl-2-propanyl)benzamide [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: 553.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 288.6±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 134.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 8.45
ACD/KOC (pH 5.5): 25.66
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2113.48
ACD/KOC (pH 7.4): 6419.52
Polar Surface Area: 48 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 391.8±3.0 cm3

Click to predict properties on the Chemicalize site


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