ChemSpider 2D Image | Isopropyl 3-{2-[3-(ethoxycarbonyl)-1-piperidinyl]-2-oxoethyl}-7-methyl-5-(4-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C27H32N4O7S

Isopropyl 3-{2-[3-(ethoxycarbonyl)-1-piperidinyl]-2-oxoethyl}-7-methyl-5-(4-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC27H32N4O7S
  • Average mass556.631 Da
  • Monoisotopic mass556.199158 Da
  • ChemSpider ID22674070

More details:

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

3-{2-[3-(Éthoxycarbonyl)-1-pipéridinyl]-2-oxoéthyl}-7-méthyl-5-(4-nitrophényl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate d'isopropyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 3-[2-[3-(ethoxycarbonyl)-1-piperidinyl]-2-oxoethyl]-7-methyl-5-(4-nitrophenyl)-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 3-{2-[3-(ethoxycarbonyl)-1-piperidinyl]-2-oxoethyl}-7-methyl-5-(4-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Isopropyl-3-{2-[3-(ethoxycarbonyl)-1-piperidinyl]-2-oxoethyl}-7-methyl-5-(4-nitrophenyl)-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: 700.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.5±35.7 °C
Index of Refraction: 1.650
Molar Refractivity: 145.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 776.25
ACD/KOC (pH 5.5): 4076.27
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 776.26
ACD/KOC (pH 7.4): 4076.30
Polar Surface Area: 160 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 400.0±7.0 cm3

Click to predict properties on the Chemicalize site


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