ChemSpider 2D Image | 3,5-Diamino-N-{2-[(2-{[3-bromo-2-hydroxy-5-(2-methyl-2-propanyl)benzyl]amino}ethyl)(methyl)amino]ethyl}-6-chloro-2-pyrazinecarboxamide | C21H31BrClN7O2

3,5-Diamino-N-{2-[(2-{[3-bromo-2-hydroxy-5-(2-methyl-2-propanyl)benzyl]amino}ethyl)(methyl)amino]ethyl}-6-chloro-2-pyrazinecarboxamide

  • Molecular FormulaC21H31BrClN7O2
  • Average mass528.873 Da
  • Monoisotopic mass527.141113 Da
  • ChemSpider ID143916

More details:

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

119646-52-5 [RN]
2-Pyrazinecarboxamide, 3,5-diamino-N-[2-[[2-[[[3-bromo-5-(1,1-dimethylethyl)-2-hydroxyphenyl]methyl]amino]ethyl]methylamino]ethyl]-6-chloro- [ACD/Index Name]
3,5-Diamino-N-[2-[[2-[[[3-bromo-5-(1,1-dimethylethyl)-2-hydroxyphenyl]methyl]amino]ethyl]methylamino]ethyl]-6-chloro-2-pyrazinecarboxamide
3,5-Diamino-N-{2-[(2-{[3-brom-2-hydroxy-5-(2-methyl-2-propanyl)benzyl]amino}ethyl)(methyl)amino]ethyl}-6-chlor-2-pyrazincarboxamid [German] [ACD/IUPAC Name]
3,5-Diamino-N-{2-[(2-{[3-bromo-2-hydroxy-5-(2-methyl-2-propanyl)benzyl]amino}ethyl)(methyl)amino]ethyl}-6-chloro-2-pyrazinecarboxamide [ACD/IUPAC Name]
3,5-Diamino-N-{2-[(2-{[3-bromo-2-hydroxy-5-(2-méthyl-2-propanyl)benzyl]amino}éthyl)(méthyl)amino]éthyl}-6-chloro-2-pyrazinecarboxamide [French] [ACD/IUPAC Name]
2-PYRAZINECARBOXAMIDE,3,5-DIAMINO-N-[2-[[2-[[[3-BROMO-5-(1,1-DIMETHYLETHYL)-2-HYDROXYPHENYL]METHYL]AMINO]ETHYL]METHYLAMINO]ETHYL]-6-CHLORO-
3,5-diamino-n-{2-[{2-[(3-bromo-5-tert-butyl-2-hydroxybenzyl)amino]ethyl}(methyl)amino]ethyl}-6-chloropyrazine-2-carboxamide
Pyrazinecarboxamide, 3,5-diamino-N-(2-((2-(((3-bromo-5-(1,1-dimethylethyl)-2-hydroxyphenyl)methyl)amino)ethyl)methylamino)ethyl)-6-chloro-
Pyrazinecarboxamide, N-(2-((2-(((3-bromo-5-(1,1-dimethylethyl)-2-hydroxyphenyl)methyl)amino)ethyl)methylamino)ethyl)-6-chloro-3,5-diamino-

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

ICI 206970 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 645.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 343.9±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 132.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 4.20
ACD/KOC (pH 5.5): 12.66
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 379.97
ACD/KOC (pH 7.4): 1145.99
Polar Surface Area: 142 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 373.3±3.0 cm3

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