ChemSpider 2D Image | 6-[(3-Methoxybenzyl)oxy]-1-(2-phenylethyl)-4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-2-one | C31H36N2O7

6-[(3-Methoxybenzyl)oxy]-1-(2-phenylethyl)-4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-2-one

  • Molecular FormulaC31H36N2O7
  • Average mass548.627 Da
  • Monoisotopic mass548.252258 Da
  • ChemSpider ID22174934

More details:

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

2H-1,4-Diazepin-2-one, hexahydro-6-[(3-methoxyphenyl)methoxy]-1-(2-phenylethyl)-4-(3,4,5-trimethoxybenzoyl)- [ACD/Index Name]
6-[(3-Methoxybenzyl)oxy]-1-(2-phenylethyl)-4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-2-on [German] [ACD/IUPAC Name]
6-[(3-Methoxybenzyl)oxy]-1-(2-phenylethyl)-4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-2-one [ACD/IUPAC Name]
6-[(3-Méthoxybenzyl)oxy]-1-(2-phényléthyl)-4-(3,4,5-triméthoxybenzoyl)-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: 743.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 403.2±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 151.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 408.20
ACD/KOC (pH 5.5): 2573.15
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 408.20
ACD/KOC (pH 7.4): 2573.15
Polar Surface Area: 87 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 436.9±5.0 cm3

Click to predict properties on the Chemicalize site


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