ChemSpider 2D Image | N,N-Diethyl-2-({1-(4-methoxybenzyl)-2-oxo-4-[4-(1H-pyrazol-1-yl)benzoyl]-1,4-diazepan-6-yl}oxy)acetamide | C29H35N5O5

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

  • Molecular FormulaC29H35N5O5
  • Average mass533.619 Da
  • Monoisotopic mass533.263794 Da
  • ChemSpider ID22186671

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-(1H-pyrazol-1-yl)benzoyl]-1H-1,4-diazepin-6-yl]oxy]- [ACD/Index Name]
N,N-Diethyl-2-({1-(4-methoxybenzyl)-2-oxo-4-[4-(1H-pyrazol-1-yl)benzoyl]-1,4-diazepan-6-yl}oxy)acetamid [German] [ACD/IUPAC Name]
N,N-Diethyl-2-({1-(4-methoxybenzyl)-2-oxo-4-[4-(1H-pyrazol-1-yl)benzoyl]-1,4-diazepan-6-yl}oxy)acetamide [ACD/IUPAC Name]
N,N-Diéthyl-2-({1-(4-méthoxybenzyl)-2-oxo-4-[4-(1H-pyrazol-1-yl)benzoyl]-1,4-diazépan-6-yl}oxy)acétamide [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: 752.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 408.7±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 149.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.84
ACD/KOC (pH 5.5): 386.08
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.84
ACD/KOC (pH 7.4): 386.08
Polar Surface Area: 97 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 434.7±7.0 cm3

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