ChemSpider 2D Image | 7-Benzyl-3-(4-fluorophenyl)-2-(1-pyrrolidinyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one | C26H25FN4OS

7-Benzyl-3-(4-fluorophenyl)-2-(1-pyrrolidinyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC26H25FN4OS
  • Average mass460.566 Da
  • Monoisotopic mass460.173309 Da
  • ChemSpider ID30656995

More details:

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

7-Benzyl-3-(4-fluorophenyl)-2-(1-pyrrolidinyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
7-Benzyl-3-(4-fluorophényl)-2-(1-pyrrolidinyl)-5,6,7,8-tétrahydropyrido[4',3':4,5]thiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
7-Benzyl-3-(4-fluorphenyl)-2-(1-pyrrolidinyl)-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, 3-(4-fluorophenyl)-5,6,7,8-tetrahydro-7-(phenylmethyl)-2-(1-pyrrolidinyl)- [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: 639.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.2±34.3 °C
Index of Refraction: 1.717
Molar Refractivity: 130.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 54.72
ACD/KOC (pH 5.5): 338.84
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 399.50
ACD/KOC (pH 7.4): 2473.85
Polar Surface Area: 67 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 331.4±7.0 cm3

Click to predict properties on the Chemicalize site


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