ChemSpider 2D Image | 4-({(2S)-2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl]phenyl}-5-methoxy-2-oxo-1(2H)-pyridinyl]butanoyl}amino)-2-fluorobenzamide | C26H21ClF4N6O4

4-({(2S)-2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl]phenyl}-5-methoxy-2-oxo-1(2H)-pyridinyl]butanoyl}amino)-2-fluorobenzamide

  • Molecular FormulaC26H21ClF4N6O4
  • Average mass592.929 Da
  • Monoisotopic mass592.124878 Da
  • ChemSpider ID115009501

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1(2H)-Pyridineacetamide, N-[4-(aminocarbonyl)-3-fluorophenyl]-4-[5-chloro-2-[4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl]phenyl]-α-ethyl-5-methoxy-2-oxo-, (αS)- [ACD/Index Name]
4-({(2S)-2-[4-{5-Chlor-2-[4-(trifluormethyl)-1H-1,2,3-triazol-1-yl]phenyl}-5-methoxy-2-oxo-1(2H)-pyridinyl]butanoyl}amino)-2-fluorbenzamid [German] [ACD/IUPAC Name]
4-({(2S)-2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl]phenyl}-5-methoxy-2-oxo-1(2H)-pyridinyl]butanoyl}amino)-2-fluorobenzamide [ACD/IUPAC Name]
4-({(2S)-2-[4-{5-Chloro-2-[4-(trifluorométhyl)-1H-1,2,3-triazol-1-yl]phényl}-5-méthoxy-2-oxo-1(2H)-pyridinyl]butanoyl}amino)-2-fluorobenzamide [French] [ACD/IUPAC Name]
2064121-65-7 [RN]
4-[[(2S)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxopyridin-1-yl]butanoyl]amino]-2-fluorobenzamide
Asundexian

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 139.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 59.13
ACD/KOC (pH 5.5): 645.50
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 59.13
ACD/KOC (pH 7.4): 645.49
Polar Surface Area: 132 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 391.6±7.0 cm3

Click to predict properties on the Chemicalize site


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