ChemSpider 2D Image | 7-Benzyl-3-(4-fluorophenyl)-2-(propylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one | C25H25FN4OS

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

  • Molecular FormulaC25H25FN4OS
  • Average mass448.556 Da
  • Monoisotopic mass448.173309 Da
  • ChemSpider ID30657593

More details:

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

7-Benzyl-3-(4-fluorophenyl)-2-(propylamino)-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-(propylamino)-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-(propylamino)-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-(propylamino)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 619.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 328.7±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 127.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 137.69
ACD/KOC (pH 5.5): 659.73
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 986.82
ACD/KOC (pH 7.4): 4728.35
Polar Surface Area: 76 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 337.0±7.0 cm3

Click to predict properties on the Chemicalize site


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