ChemSpider 2D Image | Propyl 2-chloro-5-({[(5Z)-5-{3-ethoxy-4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)benzoate | C30H32ClN3O8S

Propyl 2-chloro-5-({[(5Z)-5-{3-ethoxy-4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)benzoate

  • Molecular FormulaC30H32ClN3O8S
  • Average mass630.108 Da
  • Monoisotopic mass629.159851 Da
  • ChemSpider ID79886885

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Chloro-5-({2-[(5Z)-5-{3-éthoxy-4-[2-oxo-2-(1-pyrrolidinyl)éthoxy]benzylidène}-2,4-dioxo-1,3-thiazolidin-3-yl]acétyl}amino)benzoate de propyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-chloro-5-[[2-[(5Z)-5-[[3-ethoxy-4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]phenyl]methylene]-2,4-dioxo-3-thiazolidinyl]acetyl]amino]-, propyl ester [ACD/Index Name]
Propyl 2-chloro-5-({[(5Z)-5-{3-ethoxy-4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)benzoate [ACD/IUPAC Name]
Propyl-2-chlor-5-({[(5Z)-5-{3-ethoxy-4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]benzyliden}-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)benzoat [German] [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: 1.643
Molar Refractivity: 163.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 476.79
ACD/KOC (pH 5.5): 2875.76
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 476.79
ACD/KOC (pH 7.4): 2875.73
Polar Surface Area: 157 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 451.9±3.0 cm3

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