ChemSpider 2D Image | 3,5-Diamino-N-{2-[(2-{[(6-bromo-5-hydroxy-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)methyl]amino}ethyl)(methyl)amino]ethyl}-6-chloro-2-pyrazinecarboxamide | C22H31BrClN7O2

3,5-Diamino-N-{2-[(2-{[(6-bromo-5-hydroxy-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)methyl]amino}ethyl)(methyl)amino]ethyl}-6-chloro-2-pyrazinecarboxamide

  • Molecular FormulaC22H31BrClN7O2
  • Average mass540.884 Da
  • Monoisotopic mass539.141113 Da
  • ChemSpider ID169503

More details:

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

2-Pyrazinecarboxamide, 3,5-diamino-N-[2-[[2-[[(6-bromo-2,3-dihydro-5-hydroxy-1,1-dimethyl-1H-inden-4-yl)methyl]amino]ethyl]methylamino]ethyl]-6-chloro- [ACD/Index Name]
3,5-Diamino-N-{2-[(2-{[(6-brom-5-hydroxy-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)methyl]amino}ethyl)(methyl)amino]ethyl}-6-chlor-2-pyrazincarboxamid [German] [ACD/IUPAC Name]
3,5-Diamino-N-{2-[(2-{[(6-bromo-5-hydroxy-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)methyl]amino}ethyl)(methyl)amino]ethyl}-6-chloro-2-pyrazinecarboxamide [ACD/IUPAC Name]
3,5-Diamino-N-{2-[(2-{[(6-bromo-5-hydroxy-1,1-diméthyl-2,3-dihydro-1H-indén-4-yl)méthyl]amino}éthyl)(méthyl)amino]éthyl}-6-chloro-2-pyrazinecarboxamide [French] [ACD/IUPAC Name]
126988-14-5 [RN]
2-PYRAZINECARBOXAMIDE,3,5-DIAMINO-N-[2-[[2-[[(6-BROMO-2,3-DIHYDRO-5-HYDROXY-1,1-DIMETHYL-1H-INDEN-4-YL)METHYL]AMINO]ETHYL]METHYLAMINO]ETHYL]-6-CHLORO-
3,5-Diamino-N-(2-((2-(((6-bromo-2,3-dihydro-5-hydroxy-1,1-dimethyl-1H-inden-4-yl)methyl)amino)ethyl)methylamino)ethyl)-6-chloropyrazinecarboxamide
3,5-diamino-n-{2-[(2-{[(6-bromo-5-hydroxy-1,1-dimethyl-2,3-dihydro-1h-inden-4-yl)methyl]amino}ethyl)(methyl)amino]ethyl}-6-chloropyrazine-2-carboxamide
Pyrazinecarboxamide, 3,5-diamino-N-(2-((2-(((6-bromo-2,3-dihydro-5-hydroxy-1,1-dimethyl-1H-inden-4-yl)methyl)amino)ethyl)methylamino)ethyl)-6-chloro-
Zeneca ZM 224832
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 661.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 353.7±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 135.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 7.87
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 11.18
ACD/KOC (pH 5.5): 25.46
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1043.58
ACD/KOC (pH 7.4): 2376.06
Polar Surface Area: 142 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 374.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement