ChemSpider 2D Image | Methyl 2-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C35H29N5O8S

Methyl 2-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC35H29N5O8S
  • Average mass679.698 Da
  • Monoisotopic mass679.173706 Da
  • ChemSpider ID4410266

More details:

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

2-{[3-(4-Éthoxy-3-nitrophényl)-1-phényl-1H-pyrazol-4-yl]méthylène}-5-[4-(méthoxycarbonyl)phényl]-7-méthyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2,3-dihydro-5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-, methyl ester [ACD/Index Name]
Methyl 2-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Methyl-2-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylen}-5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [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: 831.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.9±3.0 kJ/mol
Flash Point: 456.8±37.1 °C
Index of Refraction: 1.679
Molar Refractivity: 182.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7311.77
ACD/KOC (pH 5.5): 20298.22
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7311.77
ACD/KOC (pH 7.4): 20298.22
Polar Surface Area: 183 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 482.2±7.0 cm3

Click to predict properties on the Chemicalize site


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