ChemSpider 2D Image | 4-(4-Fluorobenzyl)-1-[2-(2-hydroxyethoxy)ethyl]-3-isopropyl-1,4-diazepan-5-one | C19H29FN2O3

4-(4-Fluorobenzyl)-1-[2-(2-hydroxyethoxy)ethyl]-3-isopropyl-1,4-diazepan-5-one

  • Molecular FormulaC19H29FN2O3
  • Average mass352.444 Da
  • Monoisotopic mass352.216217 Da
  • ChemSpider ID29556190

More details:

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

4-(4-Fluorbenzyl)-1-[2-(2-hydroxyethoxy)ethyl]-3-isopropyl-1,4-diazepan-5-on [German] [ACD/IUPAC Name]
4-(4-Fluorobenzyl)-1-[2-(2-hydroxyethoxy)ethyl]-3-isopropyl-1,4-diazepan-5-one [ACD/IUPAC Name]
4-(4-Fluorobenzyl)-1-[2-(2-hydroxyéthoxy)éthyl]-3-isopropyl-1,4-diazépan-5-one [French] [ACD/IUPAC Name]
5H-1,4-Diazepin-5-one, 4-[(4-fluorophenyl)methyl]hexahydro-1-[2-(2-hydroxyethoxy)ethyl]-3-(1-methylethyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 508.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 261.3±30.1 °C
Index of Refraction: 1.523
Molar Refractivity: 95.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.83
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 7.20
ACD/KOC (pH 7.4): 114.61
Polar Surface Area: 53 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 311.9±3.0 cm3

Click to predict properties on the Chemicalize site


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