ChemSpider 2D Image | 9-[(2-Bromo-1H-indol-3-yl)methyl]-12-(4-hydroxyphenyl)-1,3,6,8,16,18-hexamethyl-15,20-dioxa-5,8,11-triazabicyclo[17.1.0]icosane-4,7,10,14-tetrone | C36H45BrN4O7

9-[(2-Bromo-1H-indol-3-yl)methyl]-12-(4-hydroxyphenyl)-1,3,6,8,16,18-hexamethyl-15,20-dioxa-5,8,11-triazabicyclo[17.1.0]icosane-4,7,10,14-tetrone

  • Molecular FormulaC36H45BrN4O7
  • Average mass725.669 Da
  • Monoisotopic mass724.247131 Da
  • ChemSpider ID2933273

More details:

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

15,20-Dioxa-5,8,11-triazabicyclo[17.1.0]eicosane-4,7,10,14-tetrone, 9-[(2-bromo-1H-indol-3-yl)methyl]-12-(4-hydroxyphenyl)-1,3,6,8,16,18-hexamethyl- [ACD/Index Name]
9-[(2-Brom-1H-indol-3-yl)methyl]-12-(4-hydroxyphenyl)-1,3,6,8,16,18-hexamethyl-15,20-dioxa-5,8,11-triazabicyclo[17.1.0]icosan-4,7,10,14-tetron [German] [ACD/IUPAC Name]
9-[(2-Bromo-1H-indol-3-yl)methyl]-12-(4-hydroxyphenyl)-1,3,6,8,16,18-hexamethyl-15,20-dioxa-5,8,11-triazabicyclo[17.1.0]icosane-4,7,10,14-tetrone [ACD/IUPAC Name]
9-[(2-Bromo-1H-indol-3-yl)méthyl]-12-(4-hydroxyphényl)-1,3,6,8,16,18-hexaméthyl-15,20-dioxa-5,8,11-triazabicyclo[17.1.0]icosane-4,7,10,14-tétrone [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: 983.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.3±3.0 kJ/mol
Flash Point: 548.6±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 184.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 435.22
ACD/KOC (pH 5.5): 2693.93
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 433.16
ACD/KOC (pH 7.4): 2681.18
Polar Surface Area: 153 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 571.3±3.0 cm3

Click to predict properties on the Chemicalize site


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