ChemSpider 2D Image | 2-[6-Chloro-3-{[2,2-difluoro-2-(1-oxido-2-pyridinyl)ethyl]amino}-2-oxo-1(2H)-pyrazinyl]-N-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]acetamide | C21H17Cl2F2N9O3

2-[6-Chloro-3-{[2,2-difluoro-2-(1-oxido-2-pyridinyl)ethyl]amino}-2-oxo-1(2H)-pyrazinyl]-N-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]acetamide

  • Molecular FormulaC21H17Cl2F2N9O3
  • Average mass552.321 Da
  • Monoisotopic mass551.079956 Da
  • ChemSpider ID571165

More details:






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

1(2H)-Pyrazineacetamide, 6-chloro-N-[[5-chloro-2-(1H-tetrazol-1-yl)phenyl]methyl]-3-[[2,2-difluoro-2-(1-oxido-2-pyridinyl)ethyl]amino]-2-oxo- [ACD/Index Name]
2-[6-Chlor-3-{[2,2-difluor-2-(1-oxido-2-pyridinyl)ethyl]amino}-2-oxo-1(2H)-pyrazinyl]-N-[5-chlor-2-(1H-tetrazol-1-yl)benzyl]acetamid [German] [ACD/IUPAC Name]
2-[6-Chloro-3-{[2,2-difluoro-2-(1-oxido-2-pyridinyl)ethyl]amino}-2-oxo-1(2H)-pyrazinyl]-N-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]acetamide [ACD/IUPAC Name]
2-[6-Chloro-3-{[2,2-difluoro-2-(1-oxydo-2-pyridinyl)éthyl]amino}-2-oxo-1(2H)-pyrazinyl]-N-[5-chloro-2-(1H-tétrazol-1-yl)benzyl]acétamide [French] [ACD/IUPAC Name]
(2-[6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO-2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE
170
CHEMBL103461

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.704
Molar Refractivity: 131.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.63
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.77
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.77
Polar Surface Area: 143 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 64.0±7.0 dyne/cm
Molar Volume: 338.3±7.0 cm3

Click to predict properties on the Chemicalize site





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