ChemSpider 2D Image | N-{2-Fluoro-5-[({4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]benzoyl}glutamic acid | C23H20FN3O6S2

N-{2-Fluoro-5-[({4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]benzoyl}glutamic acid

  • Molecular FormulaC23H20FN3O6S2
  • Average mass517.550 Da
  • Monoisotopic mass517.077759 Da
  • ChemSpider ID26329038
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-[[2-Fluoro-5-[[[4-[(Z)-(4-Oxo-2-Sulfanylidene-1,3-Thiazolidin-5-Ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic Acid
Acide N-{2-fluoro-5-[({4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène)méthyl]phényl}amino)méthyl]benzoyl}glutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenyl]amino]methyl]benzoyl]- [ACD/Index Name]
N-{2-Fluor-5-[({4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-yliden)methyl]phenyl}amino)methyl]benzoyl}glutaminsäure [German] [ACD/IUPAC Name]
N-{2-Fluoro-5-[({4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]benzoyl}glutamic acid [ACD/IUPAC Name]

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: 1.711
Molar Refractivity: 129.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.03
ACD/LogD (pH 5.5): -2.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 87.0±5.0 dyne/cm
Molar Volume: 331.6±5.0 cm3

Click to predict properties on the Chemicalize site






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