ChemSpider 2D Image | 2-{[(2-Chloro-4,6-difluorophenyl)amino]methyl}thieno[3,2-d]pyrimidin-4(3H)-one | C13H8ClF2N3OS

2-{[(2-Chloro-4,6-difluorophenyl)amino]methyl}thieno[3,2-d]pyrimidin-4(3H)-one

  • Molecular FormulaC13H8ClF2N3OS
  • Average mass327.737 Da
  • Monoisotopic mass327.004456 Da
  • ChemSpider ID40840129

More details:

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

2-{[(2-Chlor-4,6-difluorphenyl)amino]methyl}thieno[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
2-{[(2-Chloro-4,6-difluorophenyl)amino]methyl}thieno[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
2-{[(2-Chloro-4,6-difluorophényl)amino]méthyl}thiéno[3,2-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidin-4(3H)-one, 2-[[(2-chloro-4,6-difluorophenyl)amino]methyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.708
Molar Refractivity: 77.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 33.20
ACD/KOC (pH 5.5): 427.03
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 33.13
ACD/KOC (pH 7.4): 426.02
Polar Surface Area: 82 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 197.4±7.0 cm3

Click to predict properties on the Chemicalize site


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