ChemSpider 2D Image | 2-[5-(4-{[(4,6-Diamino-2-pyrimidinyl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-fluorophenoxy]ethanol | C19H22FN5O2S2

2-[5-(4-{[(4,6-Diamino-2-pyrimidinyl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-fluorophenoxy]ethanol

  • Molecular FormulaC19H22FN5O2S2
  • Average mass435.539 Da
  • Monoisotopic mass435.119904 Da
  • ChemSpider ID30832660

More details:

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

2-[5-(4-{[(4,6-Diamino-2-pyrimidinyl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-fluorophenoxy]ethanol [ACD/IUPAC Name]
2-[5-(4-{[(4,6-Diamino-2-pyrimidinyl)sulfanyl]méthyl}-5-propyl-1,3-thiazol-2-yl)-2-fluorophénoxy]éthanol [French] [ACD/IUPAC Name]
2-[5-(4-{[(4,6-Diamino-2-pyrimidinyl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-fluorphenoxy]ethanol [German] [ACD/IUPAC Name]
Ethanol, 2-[5-[4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-5-propyl-2-thiazolyl]-2-fluorophenoxy]- [ACD/Index 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: 713.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 385.4±35.7 °C
Index of Refraction: 1.676
Molar Refractivity: 114.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 168.85
ACD/KOC (pH 5.5): 1248.34
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 231.82
ACD/KOC (pH 7.4): 1713.90
Polar Surface Area: 174 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 81.3±5.0 dyne/cm
Molar Volume: 303.3±5.0 cm3

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