ChemSpider 2D Image | 3-(3-Methoxy-4-nitrophenyl)-6-[2-(4-morpholinyl)ethoxy]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one | C26H26N4O6

3-(3-Methoxy-4-nitrophenyl)-6-[2-(4-morpholinyl)ethoxy]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

  • Molecular FormulaC26H26N4O6
  • Average mass490.508 Da
  • Monoisotopic mass490.185242 Da
  • ChemSpider ID35033817

More details:

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

11H-Dibenzo[b,e][1,4]diazepin-11-one, 5,10-dihydro-3-(3-methoxy-4-nitrophenyl)-6-[2-(4-morpholinyl)ethoxy]- [ACD/Index Name]
3-(3-Methoxy-4-nitrophenyl)-6-[2-(4-morpholinyl)ethoxy]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-on [German] [ACD/IUPAC Name]
3-(3-Methoxy-4-nitrophenyl)-6-[2-(4-morpholinyl)ethoxy]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one [ACD/IUPAC Name]
3-(3-Méthoxy-4-nitrophényl)-6-[2-(4-morpholinyl)éthoxy]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazépin-11-one [French] [ACD/IUPAC Name]
3-(3-methoxy-4-nitrophenyl)-6-[2-(morpholin-4-yl)ethoxy]-5,10-dihydro-11H-dibenzo[b,E][1,4]diazepin-11-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 655.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 350.2±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 131.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 7.93
ACD/KOC (pH 5.5): 63.22
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 2.77
ACD/KOC (pH 7.4): 22.05
Polar Surface Area: 118 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 378.6±3.0 cm3

Click to predict properties on the Chemicalize site


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