ChemSpider 2D Image | N,N-Diethyl-2-({1-(4-methoxybenzyl)-2-oxo-4-[4-(1-pyrrolidinyl)benzoyl]-1,4-diazepan-6-yl}oxy)acetamide | C30H40N4O5

N,N-Diethyl-2-({1-(4-methoxybenzyl)-2-oxo-4-[4-(1-pyrrolidinyl)benzoyl]-1,4-diazepan-6-yl}oxy)acetamide

  • Molecular FormulaC30H40N4O5
  • Average mass536.662 Da
  • Monoisotopic mass536.299866 Da
  • ChemSpider ID22224126

More details:






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

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 756.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.4±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 150.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.45
ACD/KOC (pH 5.5): 400.67
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.66
ACD/KOC (pH 7.4): 403.33
Polar Surface Area: 83 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 432.5±5.0 cm3

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