ChemSpider 2D Image | 1-[4-(1-Piperidinyl)benzoyl]-4-[2-(trifluoromethyl)benzyl]-1,4-diazepan-5-one | C25H28F3N3O2

1-[4-(1-Piperidinyl)benzoyl]-4-[2-(trifluoromethyl)benzyl]-1,4-diazepan-5-one

  • Molecular FormulaC25H28F3N3O2
  • Average mass459.504 Da
  • Monoisotopic mass459.213348 Da
  • ChemSpider ID23060667

More details:

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

1-[4-(1-Piperidinyl)benzoyl]-4-[2-(trifluormethyl)benzyl]-1,4-diazepan-5-on [German] [ACD/IUPAC Name]
1-[4-(1-Piperidinyl)benzoyl]-4-[2-(trifluoromethyl)benzyl]-1,4-diazepan-5-one [ACD/IUPAC Name]
1-[4-(1-Pipéridinyl)benzoyl]-4-[2-(trifluorométhyl)benzyl]-1,4-diazépan-5-one [French] [ACD/IUPAC Name]
5H-1,4-Diazepin-5-one, hexahydro-1-[4-(1-piperidinyl)benzoyl]-4-[[2-(trifluoromethyl)phenyl]methyl]- [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: 633.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.0±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 118.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 172.54
ACD/KOC (pH 5.5): 1352.67
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.29
ACD/KOC (pH 7.4): 1483.96
Polar Surface Area: 44 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 363.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement