ChemSpider 2D Image | 2-Benzyl-5-(3-hydroxyphenyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione | C26H21N3O3

2-Benzyl-5-(3-hydroxyphenyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione

  • Molecular FormulaC26H21N3O3
  • Average mass423.463 Da
  • Monoisotopic mass423.158295 Da
  • ChemSpider ID28575721

More details:

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

1H-Imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione, 5,6,11,11a-tetrahydro-5-(3-hydroxyphenyl)-2-(phenylmethyl)- [ACD/Index Name]
2-Benzyl-5-(3-hydroxyphenyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-Benzyl-5-(3-hydroxyphenyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione [ACD/IUPAC Name]
2-Benzyl-5-(3-hydroxyphényl)-5,6,11,11a-tétrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione [French] [ACD/IUPAC Name]
869304-55-2 [RN]
Eg5 Inhibitor V, trans-24
Trans - 24

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

Density: 1.5±0.1 g/cm3
Boiling Point: 665.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 356.1±34.3 °C
Index of Refraction: 1.783
Molar Refractivity: 120.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 270.94
ACD/KOC (pH 5.5): 1918.90
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 269.43
ACD/KOC (pH 7.4): 1908.21
Polar Surface Area: 77 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 84.9±5.0 dyne/cm
Molar Volume: 287.1±5.0 cm3

Click to predict properties on the Chemicalize site


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