ChemSpider 2D Image | N-[3-({4-[(Z)-(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzyl}amino)benzoyl]-D-glutamic acid | C23H21N3O6S2

N-[3-({4-[(Z)-(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzyl}amino)benzoyl]-D-glutamic acid

  • Molecular FormulaC23H21N3O6S2
  • Average mass499.559 Da
  • Monoisotopic mass499.087189 Da
  • ChemSpider ID26329042

  • 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

(2r)-2-[[3-[[4-[(Z)-(4-Oxo-2-Sulfanylidene-1,3-Thiazolidin-5-Ylidene)methyl]phenyl]methylamino]phenyl]carbonylamino]pentanedioic Acid
Acide N-[3-({4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène)méthyl]benzyl}amino)benzoyl]-D-glutamique [French] [ACD/IUPAC Name]
D-Glutamic acid, N-[3-[[[4-[(Z)-(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenyl]methyl]amino]benzoyl]- [ACD/Index Name]
N-[3-({4-[(Z)-(4-Oxo-2-thioxo-1,3-thiazolidin-5-yliden)methyl]benzyl}amino)benzoyl]-D-glutaminsäure [German] [ACD/IUPAC Name]
N-[3-({4-[(Z)-(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzyl}amino)benzoyl]-D-glutamic acid [ACD/IUPAC Name]
T26

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: 1.723
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.69
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.69
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: 89.2±5.0 dyne/cm
Molar Volume: 327.2±5.0 cm3

Click to predict properties on the Chemicalize site


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