ChemSpider 2D Image | 3-{2-[4-(2-Fluorobenzyl)-1,4-diazepan-1-yl]-2-oxoethyl}-4-methyl-2-piperazinone | C19H27FN4O2

3-{2-[4-(2-Fluorobenzyl)-1,4-diazepan-1-yl]-2-oxoethyl}-4-methyl-2-piperazinone

  • Molecular FormulaC19H27FN4O2
  • Average mass362.442 Da
  • Monoisotopic mass362.211792 Da
  • ChemSpider ID22181545

More details:

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

2-Piperazinone, 3-[2-[4-[(2-fluorophenyl)methyl]hexahydro-1H-1,4-diazepin-1-yl]-2-oxoethyl]-4-methyl- [ACD/Index Name]
3-{2-[4-(2-Fluorbenzyl)-1,4-diazepan-1-yl]-2-oxoethyl}-4-methyl-2-piperazinon [German] [ACD/IUPAC Name]
3-{2-[4-(2-Fluorobenzyl)-1,4-diazepan-1-yl]-2-oxoethyl}-4-methyl-2-piperazinone [ACD/IUPAC Name]
3-{2-[4-(2-Fluorobenzyl)-1,4-diazépan-1-yl]-2-oxoéthyl}-4-méthyl-2-pipérazinone [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: 563.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.3±30.1 °C
Index of Refraction: 1.545
Molar Refractivity: 96.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -2.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.42
Polar Surface Area: 56 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 306.1±3.0 cm3

Click to predict properties on the Chemicalize site


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