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Search term: BBKFVYOTSUWKHN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 6-[({2-[4-Ethoxy-3-(2-fluoroethoxy)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-1,3,5-triazine-2,4-diamine | C17H19FN6O2S2

6-[({2-[4-Ethoxy-3-(2-fluoroethoxy)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC17H19FN6O2S2
  • Average mass422.500 Da
  • Monoisotopic mass422.099487 Da
  • ChemSpider ID30832923

More details:

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

1,3,5-Triazine-2,4-diamine, 6-[[[2-[4-ethoxy-3-(2-fluoroethoxy)phenyl]-4-thiazolyl]methyl]thio]- [ACD/Index Name]
6-[({2-[4-Ethoxy-3-(2-fluorethoxy)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
6-[({2-[4-Ethoxy-3-(2-fluoroethoxy)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
6-[({2-[4-Éthoxy-3-(2-fluoroéthoxy)phényl]-1,3-thiazol-4-yl}méthyl)sulfanyl]-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 709.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.8±35.7 °C
Index of Refraction: 1.666
Molar Refractivity: 107.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.01
ACD/KOC (pH 5.5): 383.63
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.09
ACD/KOC (pH 7.4): 397.91
Polar Surface Area: 176 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 82.4±5.0 dyne/cm
Molar Volume: 289.2±5.0 cm3

Click to predict properties on the Chemicalize site


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