ChemSpider 2D Image | 7-{[(2,6-Difluorophenyl)(methyl)amino]methyl}-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one | C15H13F2N3OS

7-{[(2,6-Difluorophenyl)(methyl)amino]methyl}-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

  • Molecular FormulaC15H13F2N3OS
  • Average mass321.345 Da
  • Monoisotopic mass321.074738 Da
  • ChemSpider ID30075807

More details:

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

5H-Thiazolo[3,2-a]pyrimidin-5-one, 7-[[(2,6-difluorophenyl)methylamino]methyl]-3-methyl- [ACD/Index Name]
7-{[(2,6-Difluorophenyl)(methyl)amino]methyl}-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one [ACD/IUPAC Name]
7-{[(2,6-Difluorophényl)(méthyl)amino]méthyl}-3-méthyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one [French] [ACD/IUPAC Name]
7-{[(2,6-Difluorphenyl)(methyl)amino]methyl}-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-on [German] [ACD/IUPAC 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: 426.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 211.7±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 83.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.70
ACD/KOC (pH 5.5): 328.38
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.53
ACD/KOC (pH 7.4): 353.68
Polar Surface Area: 61 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 230.7±7.0 cm3

Click to predict properties on the Chemicalize site


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