ChemSpider 2D Image | 3-[(4-{(Z)-[6-(Ethoxycarbonyl)-5-(4-isopropylphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}phenoxy)methyl]benzoic acid | C39H34N2O6S

3-[(4-{(Z)-[6-(Ethoxycarbonyl)-5-(4-isopropylphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}phenoxy)methyl]benzoic acid

  • Molecular FormulaC39H34N2O6S
  • Average mass658.762 Da
  • Monoisotopic mass658.213745 Da
  • ChemSpider ID81230140

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(4-{(Z)-[6-(Ethoxycarbonyl)-5-(4-isopropylphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-yliden]methyl}phenoxy)methyl]benzoesäure [German] [ACD/IUPAC Name]
3-[(4-{(Z)-[6-(Ethoxycarbonyl)-5-(4-isopropylphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}phenoxy)methyl]benzoic acid [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[[4-[(3-carboxyphenyl)methoxy]phenyl]methylene]-2,3-dihydro-5-[4-(1-methylethyl)phenyl]-3-oxo-7-phenyl-, 6-ethyl ester, (2Z)- [ACD/Index Name]
Acide 3-[(4-{(Z)-[6-(éthoxycarbonyl)-5-(4-isopropylphényl)-3-oxo-7-phényl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidène]méthyl}phénoxy)méthyl]benzoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 826.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.9±3.0 kJ/mol
Flash Point: 453.4±37.1 °C
Index of Refraction: 1.645
Molar Refractivity: 187.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 9.90
ACD/LogD (pH 5.5): 6.84
ACD/BCF (pH 5.5): 43400.48
ACD/KOC (pH 5.5): 29464.90
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 1294.46
ACD/KOC (pH 7.4): 878.82
Polar Surface Area: 131 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 517.4±7.0 cm3

Click to predict properties on the Chemicalize site


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