ChemSpider 2D Image | (2,6-Dichloro-4-{(Z)-[6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}phenoxy)acetic acid | C26H22Cl2N2O7S

(2,6-Dichloro-4-{(Z)-[6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}phenoxy)acetic acid

  • Molecular FormulaC26H22Cl2N2O7S
  • Average mass577.433 Da
  • Monoisotopic mass576.052490 Da
  • ChemSpider ID81228727

  • Double-bond stereo - Double-bond stereo

More details:

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

(2,6-Dichlor-4-{(Z)-[6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-yliden]methyl}phenoxy)essigsäure [German] [ACD/IUPAC Name]
(2,6-Dichloro-4-{(Z)-[6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}phenoxy)acetic acid [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[[4-(carboxymethoxy)-3,5-dichlorophenyl]methylene]-2,3-dihydro-5-(4-methoxyphenyl)-7-methyl-3-oxo-, 6-ethyl ester, (2Z)- [ACD/Index Name]
Acide (2,6-dichloro-4-{(Z)-[6-(éthoxycarbonyl)-5-(4-méthoxyphényl)-7-méthyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidène]méthyl}phénoxy)acétique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 734.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 397.9±35.7 °C
Index of Refraction: 1.653
Molar Refractivity: 143.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 6.59
ACD/KOC (pH 5.5): 23.72
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.15
Polar Surface Area: 140 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 391.1±7.0 cm3

Click to predict properties on the Chemicalize site


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