ChemSpider 2D Image | 6-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one | C20H16N2O4

6-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

  • Molecular FormulaC20H16N2O4
  • Average mass348.352 Da
  • Monoisotopic mass348.110992 Da
  • ChemSpider ID24617013

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-6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)- [ACD/Index Name]
6-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-on [German] [ACD/IUPAC Name]
6-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one [ACD/IUPAC Name]
6-Hydroxy-3-(4-hydroxy-3-méthoxyphényl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazépin-11-one [French] [ACD/IUPAC Name]
Chk1_21
Kinome_1671

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

Density: 1.3±0.1 g/cm3
Boiling Point: 510.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 262.6±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 95.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.47
ACD/KOC (pH 5.5): 949.71
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 92.15
ACD/KOC (pH 7.4): 862.52
Polar Surface Area: 91 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 258.5±3.0 cm3

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