ChemSpider 2D Image | Isopropyl 7-methyl-3-(2-{[2-(4-morpholinyl)ethyl]amino}-2-oxoethyl)-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C26H31F3N4O4S

Isopropyl 7-methyl-3-(2-{[2-(4-morpholinyl)ethyl]amino}-2-oxoethyl)-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC26H31F3N4O4S
  • Average mass552.609 Da
  • Monoisotopic mass552.201782 Da
  • ChemSpider ID22646513

More details:

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

5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 7-methyl-3-[2-[[2-(4-morpholinyl)ethyl]amino]-2-oxoethyl]-5-[4-(trifluoromethyl)phenyl]-, 1-methylethyl ester [ACD/Index Name]
7-Méthyl-3-(2-{[2-(4-morpholinyl)éthyl]amino}-2-oxoéthyl)-5-[4-(trifluorométhyl)phényl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl 7-methyl-3-(2-{[2-(4-morpholinyl)ethyl]amino}-2-oxoethyl)-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Isopropyl-7-methyl-3-(2-{[2-(4-morpholinyl)ethyl]amino}-2-oxoethyl)-5-[4-(trifluormethyl)phenyl]-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.605
Molar Refractivity: 138.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 26.22
ACD/KOC (pH 5.5): 181.47
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 260.29
ACD/KOC (pH 7.4): 1801.13
Polar Surface Area: 109 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 401.0±7.0 cm3

Click to predict properties on the Chemicalize site


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