ChemSpider 2D Image | Ethyl 4-({[7-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate | C23H18FN3O4S

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

  • Molecular FormulaC23H18FN3O4S
  • Average mass451.470 Da
  • Monoisotopic mass451.100189 Da
  • ChemSpider ID26027820

More details:

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

4-({2-[7-(4-Fluorophényl)-4-oxothiéno[3,2-d]pyrimidin-3(4H)-yl]acétyl}amino)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[7-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-({[7-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate [ACD/IUPAC Name]
Ethyl-4-({[7-(4-fluorphenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoat [German] [ACD/IUPAC Name]
1207030-79-2 [RN]
4-{2-[7-(4-Fluoro-phenyl)-4-oxo-4H-thieno[3,2-d]pyrimidin-3-yl]-acetylamino}-benzoic acid ethyl ester
ethyl 4-({2-[7-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate
ethyl 4-(2-(7-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido)benzoate
ethyl 4-{2-[7-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetamido}benzoate
MFCD16637094

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: 1.663
Molar Refractivity: 119.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 287.70
ACD/KOC (pH 5.5): 2003.16
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 287.70
ACD/KOC (pH 7.4): 2003.15
Polar Surface Area: 116 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 323.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement