ChemSpider 2D Image | (2E,4R)-4-({2-Fluoro-5-[({4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-yl)methyl]phenyl}amino)methyl]benzoyl}amino)-2-pentenedioic acid | C23H20FN3O6S2

(2E,4R)-4-({2-Fluoro-5-[({4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-yl)methyl]phenyl}amino)methyl]benzoyl}amino)-2-pentenedioic acid

  • Molecular FormulaC23H20FN3O6S2
  • Average mass517.550 Da
  • Monoisotopic mass517.077759 Da
  • ChemSpider ID61713912

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2E,4R)-4-({2-Fluor-5-[({4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-yl)methyl]phenyl}amino)methyl]benzoyl}amino)-2-pentendisäure [German] [ACD/IUPAC Name]
(2E,4R)-4-({2-Fluoro-5-[({4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-yl)methyl]phenyl}amino)methyl]benzoyl}amino)-2-pentenedioic acid [ACD/IUPAC Name]
(2E,4R)-4-[(2-Fluor-5-{[(4-{[(5S)-4-oxo-2-thioxo-1,3-thiazolidin-5-yl]methyl}phenyl)amino]methyl}benzoyl)amino]-2-pentendisäure [German] [ACD/IUPAC Name]
(2E,4R)-4-[(2-Fluoro-5-{[(4-{[(5S)-4-oxo-2-thioxo-1,3-thiazolidin-5-yl]methyl}phenyl)amino]methyl}benzoyl)amino]-2-pentenedioic acid [ACD/IUPAC Name]
2-Pentenedioic acid, 4-[[2-fluoro-5-[[[4-[(4-oxo-2-thioxo-5-thiazolidinyl)methyl]phenyl]amino]methyl]benzoyl]amino]-, (2E,4R)- [ACD/Index Name]
2-Pentenedioic acid, 4-[[2-fluoro-5-[[[4-[[(5S)-4-oxo-2-thioxo-5-thiazolidinyl]methyl]phenyl]amino]methyl]benzoyl]amino]-, (2E,4R)- [ACD/Index Name]
Acide (2E,4R)-4-({2-fluoro-5-[({4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-yl)méthyl]phényl}amino)méthyl]benzoyl}amino)-2-pentènedioïque [French] [ACD/IUPAC Name]
Acide (2E,4R)-4-[(2-fluoro-5-{[(4-{[(5S)-4-oxo-2-thioxo-1,3-thiazolidin-5-yl]méthyl}phényl)amino]méthyl}benzoyl)amino]-2-pentènedioïque [French] [ACD/IUPAC Name]
2-[[2-Fluoro-5-[[[4-[(Z)-(4-Oxo-2-Sulfanylidene-1,3-Thiazolidin-5-Ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic Acid
T04

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.710
Molar Refractivity: 129.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -2.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 86.8±5.0 dyne/cm
Molar Volume: 332.4±5.0 cm3

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