ChemSpider 2D Image | 2-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-7-isopropyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one | C27H26FN3O3S2

2-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-7-isopropyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC27H26FN3O3S2
  • Average mass523.642 Da
  • Monoisotopic mass523.139954 Da
  • ChemSpider ID11943101

More details:

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

2-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-7-isopropyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
2-{[2-(4-Fluorophényl)-2-oxoéthyl]sulfanyl}-7-isopropyl-3-(4-méthoxyphényl)-5,6,7,8-tétrahydropyrido[4',3':4,5]thiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
2-{[2-(4-Fluorphenyl)-2-oxoethyl]sulfanyl}-7-isopropyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
Pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydro-3-(4-methoxyphenyl)-7-(1-methylethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 705.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.3±35.7 °C
Index of Refraction: 1.676
Molar Refractivity: 143.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 28.69
ACD/KOC (pH 5.5): 123.98
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 910.64
ACD/KOC (pH 7.4): 3935.20
Polar Surface Area: 116 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 380.8±7.0 cm3

Click to predict properties on the Chemicalize site


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