ChemSpider 2D Image | 4-[(1-Acetyl-4-piperidinyl)carbonyl]-6-[(2-fluorobenzyl)oxy]-1-(4-methoxybenzyl)-1,4-diazepan-2-one | C28H34FN3O5

4-[(1-Acetyl-4-piperidinyl)carbonyl]-6-[(2-fluorobenzyl)oxy]-1-(4-methoxybenzyl)-1,4-diazepan-2-one

  • Molecular FormulaC28H34FN3O5
  • Average mass511.585 Da
  • Monoisotopic mass511.248260 Da
  • ChemSpider ID22190957

More details:

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

2H-1,4-Diazepin-2-one, 4-[(1-acetyl-4-piperidinyl)carbonyl]-6-[(2-fluorophenyl)methoxy]hexahydro-1-[(4-methoxyphenyl)methyl]- [ACD/Index Name]
4-[(1-Acetyl-4-piperidinyl)carbonyl]-6-[(2-fluorbenzyl)oxy]-1-(4-methoxybenzyl)-1,4-diazepan-2-on [German] [ACD/IUPAC Name]
4-[(1-Acetyl-4-piperidinyl)carbonyl]-6-[(2-fluorobenzyl)oxy]-1-(4-methoxybenzyl)-1,4-diazepan-2-one [ACD/IUPAC Name]
4-[(1-Acétyl-4-pipéridinyl)carbonyl]-6-[(2-fluorobenzyl)oxy]-1-(4-méthoxybenzyl)-1,4-diazépan-2-one [French] [ACD/IUPAC 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: 737.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.6±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 33.45
ACD/KOC (pH 5.5): 429.33
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.45
ACD/KOC (pH 7.4): 429.33
Polar Surface Area: 79 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 399.6±5.0 cm3

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