ChemSpider 2D Image | Ethyl 4-{[({[4-(benzoylamino)-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]methyl}benzoate | C27H26N4O5S

Ethyl 4-{[({[4-(benzoylamino)-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]methyl}benzoate

  • Molecular FormulaC27H26N4O5S
  • Average mass518.584 Da
  • Monoisotopic mass518.162415 Da
  • ChemSpider ID1666243

More details:

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

4-{[(2-{[4-(Benzoylamino)-5,6-diméthylfuro[2,3-d]pyrimidin-2-yl]sulfanyl}acétyl)amino]méthyl}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[2-[[4-(benzoylamino)-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[({[4-(benzoylamino)-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]methyl}benzoate [ACD/IUPAC Name]
Ethyl-4-{[({[4-(benzoylamino)-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]methyl}benzoat [German] [ACD/IUPAC Name]
831194-24-2 [RN]
ethyl 4-((2-((4-benzamido-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)thio)acetamido)methyl)benzoate
ethyl 4-({2-[5,6-dimethyl-4-(phenylcarbonylamino)furano[2,3-d]pyrimidin-2-ylth io]acetylamino}methyl)benzoate
ethyl 4-({2-[5,6-dimethyl-4-(phenylcarbonylamino)furano[2,3-d]pyrimidin-2-ylthio]acetylamino}methyl)benzoate
ethyl 4-{[({[4-(benzoylamino)-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl]thio}acetyl)amino]methyl}benzoate

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

MLS000539269 [DBID]
SMR000144906 [DBID]
ZINC02875856 [DBID]

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: 1.662
Molar Refractivity: 140.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1045.01
ACD/KOC (pH 5.5): 5009.40
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 413.89
ACD/KOC (pH 7.4): 1984.05
Polar Surface Area: 149 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 380.8±5.0 cm3

Click to predict properties on the Chemicalize site


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