ChemSpider 2D Image | 1-{3-[4-(4-Cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl}-4-[1-({[3-({[(2E)-1-hydroxy-2-(methylimino)ethyl]oxy}methyl)-2-pyridinyl](methyl)carbamoyl}oxy)ethyl]-1H-1,2,4-triazol- 4-ium | C35H35F2N8O5S

1-{3-[4-(4-Cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl}-4-[1-({[3-({[(2E)-1-hydroxy-2-(methylimino)ethyl]oxy}methyl)-2-pyridinyl](methyl)carbamoyl}oxy)ethyl]-1H-1,2,4-triazol- 4-ium

  • Molecular FormulaC35H35F2N8O5S
  • Average mass717.764 Da
  • Monoisotopic mass717.241394 Da
  • ChemSpider ID95640023

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

1-{3-[4-(4-Cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl}-4-[1-({[3-({[(2E)-1-hydroxy-2-(methylimino)ethyl]oxy}methyl)-2-pyridinyl](methyl)carbamoyl}oxy)ethyl]-1H-1,2,4-triazol- 4-ium [ACD/IUPAC Name]
1-{3-[4-(4-Cyanophényl)-1,3-thiazol-2-yl]-2-(2,5-difluorophényl)-2-hydroxybutyl}-4-[1-({[3-({[(2E)-1-hydroxy-2-(méthylimino)éthyl]oxy}méthyl)-2-pyridinyl](méthyl)carbamoyl}oxy)éthyl]-1H-1,2,4-triazol- 4-ium [French] [ACD/IUPAC Name]
1-{3-[4-(4-Cyanphenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorphenyl)-2-hydroxybutyl}-4-[1-({[3-({[(2E)-1-hydroxy-2-(methylimino)ethyl]oxy}methyl)-2-pyridinyl](methyl)carbamoyl}oxy)ethyl]-1H-1,2,4-triazol-4- ium [German] [ACD/IUPAC Name]
1H-1,2,4-Triazolium, 1-[3-[4-(4-cyanophenyl)-2-thiazolyl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-4-[1-[[[[3-[[[(2E)-1-hydroxy-2-(methylimino)ethyl]oxy]methyl]-2-pyridinyl]methylamino]carbonyl]oxy]ethy l]- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 191 Å2
Polarizability:
Surface Tension:
Molar Volume:

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