ChemSpider 2D Image | 2-[({5-Ethyl-2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-4,6-pyrimidinediamine | C19H22FN5O2S2

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

  • Molecular FormulaC19H22FN5O2S2
  • Average mass435.539 Da
  • Monoisotopic mass435.119904 Da
  • ChemSpider ID30832927

More details:

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

2-[({5-Ethyl-2-[3-(2-fluorethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-4,6-pyrimidindiamin [German] [ACD/IUPAC Name]
2-[({5-Ethyl-2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-4,6-pyrimidinediamine [ACD/IUPAC Name]
2-[({5-Éthyl-2-[3-(2-fluoroéthoxy)-4-méthoxyphényl]-1,3-thiazol-4-yl}méthyl)sulfanyl]-4,6-pyrimidinediamine [French] [ACD/IUPAC Name]
2-[({5-Ethyl-2-[3-(2-Fluoroethoxy)-4-Methoxyphenyl]-1,3-Thiazol-4-Yl}methyl)sulfanyl]pyrimidine-4,6-Diamine
4,6-Pyrimidinediamine, 2-[[[5-ethyl-2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-4-thiazolyl]methyl]thio]- [ACD/Index Name]
1NN

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

Density: 1.4±0.1 g/cm3
Boiling Point: 680.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.1±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 114.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 276.56
ACD/KOC (pH 5.5): 1773.33
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 382.53
ACD/KOC (pH 7.4): 2452.86
Polar Surface Area: 163 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 73.7±5.0 dyne/cm
Molar Volume: 312.0±5.0 cm3

Click to predict properties on the Chemicalize site


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