ChemSpider 2D Image | Ethyl 2-({[(7-oxo-3-phenyl-2-thioxo-2,3,4,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetyl}amino)benzoate | C22H18N4O4S3

Ethyl 2-({[(7-oxo-3-phenyl-2-thioxo-2,3,4,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetyl}amino)benzoate

  • Molecular FormulaC22H18N4O4S3
  • Average mass498.598 Da
  • Monoisotopic mass498.049011 Da
  • ChemSpider ID22277148

More details:

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

2-({2-[(7-Oxo-3-phényl-2-thioxo-2,3,4,7-tétrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acétyl}amino)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-[(2,3,6,7-tetrahydro-7-oxo-3-phenyl-2-thioxothiazolo[4,5-d]pyrimidin-5-yl)thio]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-({[(7-oxo-3-phenyl-2-thioxo-2,3,4,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetyl}amino)benzoate [ACD/IUPAC Name]
Ethyl-2-({[(7-oxo-3-phenyl-2-thioxo-2,3,4,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetyl}amino)benzoat [German] [ACD/IUPAC Name]
1040653-98-2 [RN]
ethyl 2-(2-((7-oxo-3-phenyl-2-thioxo-2,3,6,7-tetrahydrothiazolo[4,5-d]pyrimidin-5-yl)thio)acetamido)benzoate

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.736
Molar Refractivity: 133.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 13.30
ACD/KOC (pH 5.5): 131.82
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.01
ACD/KOC (pH 7.4): 10.06
Polar Surface Area: 183 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 62.4±7.0 dyne/cm
Molar Volume: 332.4±7.0 cm3

Click to predict properties on the Chemicalize site


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