ChemSpider 2D Image | 2-{[(2,4-Difluorobenzyl)(methyl)amino]methyl}thieno[3,2-d]pyrimidin-4(1H)-one | C15H13F2N3OS

2-{[(2,4-Difluorobenzyl)(methyl)amino]methyl}thieno[3,2-d]pyrimidin-4(1H)-one

  • Molecular FormulaC15H13F2N3OS
  • Average mass321.345 Da
  • Monoisotopic mass321.074738 Da
  • ChemSpider ID26198911

More details:

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

2-{[(2,4-Difluorbenzyl)(methyl)amino]methyl}thieno[3,2-d]pyrimidin-4(1H)-on [German] [ACD/IUPAC Name]
2-{[(2,4-Difluorobenzyl)(methyl)amino]methyl}thieno[3,2-d]pyrimidin-4(1H)-one [ACD/IUPAC Name]
2-{[(2,4-Difluorobenzyl)(méthyl)amino]méthyl}thiéno[3,2-d]pyrimidin-4(1H)-one [French] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidin-4(3H)-one, 2-[[[(2,4-difluorophenyl)methyl]methylamino]methyl]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 82.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.91
ACD/KOC (pH 5.5): 28.24
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.05
ACD/KOC (pH 7.4): 266.89
Polar Surface Area: 73 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 225.5±7.0 cm3

Click to predict properties on the Chemicalize site


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