ChemSpider 2D Image | 7-(4-Hydroxybutoxy)-3-(4-hydroxy-3-methoxyphenyl)-8-methoxy-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one | C25H26N2O6

7-(4-Hydroxybutoxy)-3-(4-hydroxy-3-methoxyphenyl)-8-methoxy-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

  • Molecular FormulaC25H26N2O6
  • Average mass450.484 Da
  • Monoisotopic mass450.179077 Da
  • ChemSpider ID24808815

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-7-(4-hydroxybutoxy)-3-(4-hydroxy-3-methoxyphenyl)-8-methoxy- [ACD/Index Name]
7-(4-Hydroxybutoxy)-3-(4-hydroxy-3-methoxyphenyl)-8-methoxy-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-on [German] [ACD/IUPAC Name]
7-(4-Hydroxybutoxy)-3-(4-hydroxy-3-methoxyphenyl)-8-methoxy-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one [ACD/IUPAC Name]
7-(4-Hydroxybutoxy)-3-(4-hydroxy-3-méthoxyphényl)-8-méthoxy-5,10-dihydro-11H-dibenzo[b,e][1,4]diazépin-11-one [French] [ACD/IUPAC Name]
Kinome_1699

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

Density: 1.3±0.1 g/cm3
Boiling Point: 611.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 323.7±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 122.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.21
ACD/KOC (pH 5.5): 886.74
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 81.07
ACD/KOC (pH 7.4): 779.59
Polar Surface Area: 109 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 355.1±3.0 cm3

Click to predict properties on the Chemicalize site


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