ChemSpider 2D Image | Methyl 4-({[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate | C22H16ClN3O4S

Methyl 4-({[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate

  • Molecular FormulaC22H16ClN3O4S
  • Average mass453.898 Da
  • Monoisotopic mass453.054993 Da
  • ChemSpider ID22525731

More details:

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

4-({2-[7-(4-Chlorophényl)-4-oxothiéno[3,2-d]pyrimidin-3(4H)-yl]acétyl}amino)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]acetyl]amino]-, methyl ester [ACD/Index Name]
Methyl 4-({[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate [ACD/IUPAC Name]
Methyl-4-({[7-(4-chlorphenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoat [German] [ACD/IUPAC Name]
1105223-41-3 [RN]
4-{2-[7-(4-Chloro-phenyl)-4-oxo-4H-thieno[3,2-d]pyrimidin-3-yl]-acetylamino}-benzoic acid methyl ester
methyl 4-(2-(7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido)benzoate
methyl 4-{2-[7-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetamido}benzoate
MFCD11999269

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: 1.690
Molar Refractivity: 120.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 556.35
ACD/KOC (pH 5.5): 3211.60
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 556.35
ACD/KOC (pH 7.4): 3211.59
Polar Surface Area: 116 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 57.7±7.0 dyne/cm
Molar Volume: 313.9±7.0 cm3

Click to predict properties on the Chemicalize site


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