ChemSpider 2D Image | N,N-Diethyl-2-({4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxybenzyl)-2-oxo-1,4-diazepan-6-yl}oxy)acetamide | C28H37N3O7

N,N-Diethyl-2-({4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxybenzyl)-2-oxo-1,4-diazepan-6-yl}oxy)acetamide

  • Molecular FormulaC28H37N3O7
  • Average mass527.609 Da
  • Monoisotopic mass527.263123 Da
  • ChemSpider ID23062895

More details:

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

Acetamide, N,N-diethyl-2-[[hexahydro-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-[(4-methoxyphenyl)methyl]-2-oxo-1H-1,4-diazepin-6-yl]oxy]- [ACD/Index Name]
N,N-Diethyl-2-({4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxybenzyl)-2-oxo-1,4-diazepan-6-yl}oxy)acetamid [German] [ACD/IUPAC Name]
N,N-Diethyl-2-({4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxybenzyl)-2-oxo-1,4-diazepan-6-yl}oxy)acetamide [ACD/IUPAC Name]
N,N-Diéthyl-2-({4-[(7-méthoxy-1,3-benzodioxol-5-yl)méthyl]-1-(4-méthoxybenzyl)-2-oxo-1,4-diazépan-6-yl}oxy)acétamide [French] [ACD/IUPAC Name]
N,N-diethyl-2-{[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxybenzyl)-2-oxo-1,4-diazepan-6-yl]oxy}acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 689.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 370.8±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 142.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.02
ACD/KOC (pH 5.5): 374.59
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.74
ACD/KOC (pH 7.4): 422.57
Polar Surface Area: 90 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 414.3±5.0 cm3

Click to predict properties on the Chemicalize site


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