ChemSpider 2D Image | 2-(4-Methoxyphenyl)-N-(6-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}-3-pyridinyl)acetamide | C27H27F3N4O3

2-(4-Methoxyphenyl)-N-(6-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}-3-pyridinyl)acetamide

  • Molecular FormulaC27H27F3N4O3
  • Average mass512.523 Da
  • Monoisotopic mass512.203552 Da
  • ChemSpider ID22783664

More details:

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

2-(4-Methoxyphenyl)-N-(6-{4-[4-(trifluormethyl)benzoyl]-1,4-diazepan-1-yl}-3-pyridinyl)acetamid [German] [ACD/IUPAC Name]
2-(4-Methoxyphenyl)-N-(6-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}-3-pyridinyl)acetamide [ACD/IUPAC Name]
2-(4-Méthoxyphényl)-N-(6-{4-[4-(trifluorométhyl)benzoyl]-1,4-diazépan-1-yl}-3-pyridinyl)acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, N-[6-[hexahydro-4-[4-(trifluoromethyl)benzoyl]-1H-1,4-diazepin-1-yl]-3-pyridinyl]-4-methoxy- [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: 720.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 389.6±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 132.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 6.47
ACD/KOC (pH 5.5): 48.65
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 150.20
ACD/KOC (pH 7.4): 1129.15
Polar Surface Area: 75 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 392.0±3.0 cm3

Click to predict properties on the Chemicalize site


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