ChemSpider 2D Image | 9-(5-Chloro-2-fluorobenzoyl)-2-isobutyloctahydropyrazino[1,2-a][1,4]diazepine-1,4-dione | C19H23ClFN3O3

9-(5-Chloro-2-fluorobenzoyl)-2-isobutyloctahydropyrazino[1,2-a][1,4]diazepine-1,4-dione

  • Molecular FormulaC19H23ClFN3O3
  • Average mass395.856 Da
  • Monoisotopic mass395.141205 Da
  • ChemSpider ID90607927

More details:

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

9-(5-Chlor-2-fluorbenzoyl)-2-isobutyloctahydropyrazino[1,2-a][1,4]diazepin-1,4-dion [German] [ACD/IUPAC Name]
9-(5-Chloro-2-fluorobenzoyl)-2-isobutyloctahydropyrazino[1,2-a][1,4]diazepine-1,4-dione [ACD/IUPAC Name]
9-(5-Chloro-2-fluorobenzoyl)-2-isobutyloctahydropyrazino[1,2-a][1,4]diazépine-1,4-dione [French] [ACD/IUPAC Name]
Pyrazino[1,2-a][1,4]diazepine-1,4-dione, 9-(5-chloro-2-fluorobenzoyl)octahydro-2-(2-methylpropyl)- [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: 616.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.6±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 99.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.64
ACD/KOC (pH 5.5): 104.42
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.64
ACD/KOC (pH 7.4): 104.42
Polar Surface Area: 61 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 292.1±5.0 cm3

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