ChemSpider 2D Image | [(5Z)-5-{3-[2-(Benzylamino)-2-oxo-1-phenylethoxy]-4-(benzyloxy)benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid | C34H28N2O6S2

[(5Z)-5-{3-[2-(Benzylamino)-2-oxo-1-phenylethoxy]-4-(benzyloxy)benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid

  • Molecular FormulaC34H28N2O6S2
  • Average mass624.726 Da
  • Monoisotopic mass624.138855 Da
  • ChemSpider ID8480063

  • Double-bond stereo - Double-bond stereo

More details:

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

[(5Z)-5-{3-[2-(Benzylamino)-2-oxo-1-phenylethoxy]-4-(benzyloxy)benzyliden}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]essigsäure [German] [ACD/IUPAC Name]
[(5Z)-5-{3-[2-(Benzylamino)-2-oxo-1-phenylethoxy]-4-(benzyloxy)benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid [ACD/IUPAC Name]
3-Thiazolidineacetic acid, 4-oxo-5-[[3-[2-oxo-1-phenyl-2-[(phenylmethyl)amino]ethoxy]-4-(phenylmethoxy)phenyl]methylene]-2-thioxo-, (5Z)- [ACD/Index Name]
Acide [(5Z)-5-{3-[2-(benzylamino)-2-oxo-1-phényléthoxy]-4-(benzyloxy)benzylidène}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.722
Molar Refractivity: 172.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 31.55
ACD/KOC (pH 5.5): 120.19
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.14
Polar Surface Area: 163 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 78.8±5.0 dyne/cm
Molar Volume: 436.9±5.0 cm3

Click to predict properties on the Chemicalize site


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