ChemSpider 2D Image | 2-[({2-[3-(2-Fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}methyl)sulfanyl]-4,6-pyrimidinediamine | C20H24FN5O2S2

2-[({2-[3-(2-Fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}methyl)sulfanyl]-4,6-pyrimidinediamine

  • Molecular FormulaC20H24FN5O2S2
  • Average mass449.565 Da
  • Monoisotopic mass449.135529 Da
  • ChemSpider ID30832655

More details:

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

2-[({2-[3-(2-Fluorethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}methyl)sulfanyl]-4,6-pyrimidindiamin [German] [ACD/IUPAC Name]
2-[({2-[3-(2-Fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}methyl)sulfanyl]-4,6-pyrimidinediamine [ACD/IUPAC Name]
2-[({2-[3-(2-Fluoroéthoxy)-4-méthoxyphényl]-5-propyl-1,3-thiazol-4-yl}méthyl)sulfanyl]-4,6-pyrimidinediamine [French] [ACD/IUPAC Name]
2-[({2-[3-(2-Fluoroethoxy)-4-Methoxyphenyl]-5-Propyl-1,3-Thiazol-4-Yl}methyl)sulfanyl]pyrimidine-4,6-Diamine
4,6-Pyrimidinediamine, 2-[[[2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4-thiazolyl]methyl]thio]- [ACD/Index Name]
18V

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

Density: 1.4±0.1 g/cm3
Boiling Point: 685.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.1±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 118.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 457.64
ACD/KOC (pH 5.5): 2546.84
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 629.78
ACD/KOC (pH 7.4): 3504.84
Polar Surface Area: 163 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 328.2±5.0 cm3

Click to predict properties on the Chemicalize site


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