ChemSpider 2D Image | Ethyl 1-({6-[1-(5-chloro-2-methylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetyl)-3-piperidinecarboxylate | C28H30ClN5O4S

Ethyl 1-({6-[1-(5-chloro-2-methylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetyl)-3-piperidinecarboxylate

  • Molecular FormulaC28H30ClN5O4S
  • Average mass568.087 Da
  • Monoisotopic mass567.170715 Da
  • ChemSpider ID22785130

More details:

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

1-(2-{6-[1-(5-Chloro-2-méthylphényl)-5-méthyl-1H-pyrazol-3-yl]-7-méthyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acétyl)-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[2-[6-[1-(5-chloro-2-methylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-3-yl]acetyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-({6-[1-(5-chloro-2-methylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetyl)-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-({6-[1-(5-chlor-2-methylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetyl)-3-piperidincarboxylat [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: 741.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 402.0±35.7 °C
Index of Refraction: 1.686
Molar Refractivity: 152.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 267.14
ACD/KOC (pH 5.5): 1899.59
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 267.14
ACD/KOC (pH 7.4): 1899.59
Polar Surface Area: 122 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 400.5±7.0 cm3

Click to predict properties on the Chemicalize site


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