ChemSpider 2D Image | 1-{4-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(2,4-difluorophenoxy)ethanone | C19H22F2N4O3

1-{4-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(2,4-difluorophenoxy)ethanone

  • Molecular FormulaC19H22F2N4O3
  • Average mass392.400 Da
  • Monoisotopic mass392.165985 Da
  • ChemSpider ID29823028

More details:

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

1-{4-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(2,4-difluorophenoxy)ethanone [ACD/IUPAC Name]
1-{4-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)méthyl]-1,4-diazépan-1-yl}-2-(2,4-difluorophénoxy)éthanone [French] [ACD/IUPAC Name]
1-{4-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(2,4-difluorphenoxy)ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]hexahydro-1H-1,4-diazepin-1-yl]-2-(2,4-difluorophenoxy)- [ACD/Index 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: 579.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.1±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 95.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.93
ACD/KOC (pH 5.5): 152.08
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.12
ACD/KOC (pH 7.4): 155.84
Polar Surface Area: 72 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 289.9±3.0 cm3

Click to predict properties on the Chemicalize site


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