ChemSpider 2D Image | Methyl 4-({[(3-ethyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate | C24H21N3O4S2

Methyl 4-({[(3-ethyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate

  • Molecular FormulaC24H21N3O4S2
  • Average mass479.571 Da
  • Monoisotopic mass479.097351 Da
  • ChemSpider ID22280131

More details:

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

4-({2-[(3-Éthyl-4-oxo-7-phényl-3,4-dihydrothiéno[3,2-d]pyrimidin-2-yl)sulfanyl]acétyl}amino)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[(3-ethyl-3,4-dihydro-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)thio]acetyl]amino]-, methyl ester [ACD/Index Name]
Methyl 4-({[(3-ethyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate [ACD/IUPAC Name]
Methyl-4-({[(3-ethyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoat [German] [ACD/IUPAC Name]
[1040661-66-2] [RN]
1040661-66-2 [RN]
4-[2-(3-Ethyl-4-oxo-7-phenyl-3,4-dihydro-thieno[3,2-d]pyrimidin-2-ylsulfanyl)-acetylamino]-benzoic acid methyl ester
BS-9364
methyl 4-({[(3-ethyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]acetyl}amino)benzoate
methyl 4-(2-((3-ethyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamido)benzoate
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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: 1.679
Molar Refractivity: 132.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 846.60
ACD/KOC (pH 5.5): 4337.43
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 846.59
ACD/KOC (pH 7.4): 4337.40
Polar Surface Area: 142 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 350.3±7.0 cm3

Click to predict properties on the Chemicalize site


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