ChemSpider 2D Image | 1-(5-(4-(((2,6-Diaminopyrimidin-4-Yl)thio)methyl)-5-Propylthiazol-2-Yl)-2-Methoxyphenoxy)-2-Methylpropan-2-Ol | C22H29N5O3S2

1-(5-(4-(((2,6-Diaminopyrimidin-4-Yl)thio)methyl)-5-Propylthiazol-2-Yl)-2-Methoxyphenoxy)-2-Methylpropan-2-Ol

  • Molecular FormulaC22H29N5O3S2
  • Average mass475.627 Da
  • Monoisotopic mass475.171173 Da
  • ChemSpider ID35034992

More details:

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

1-(5-(4-(((2,6-Diaminopyrimidin-4-Yl)thio)methyl)-5-Propylthiazol-2-Yl)-2-Methoxyphenoxy)-2-Methylpropan-2-Ol
1-[5-(4-{[(2,6-Diamino-4-pyrimidinyl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methyl-2-propanol [German] [ACD/IUPAC Name]
1-[5-(4-{[(2,6-Diamino-4-pyrimidinyl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methyl-2-propanol [ACD/IUPAC Name]
1-[5-(4-{[(2,6-Diamino-4-pyrimidinyl)sulfanyl]méthyl}-5-propyl-1,3-thiazol-2-yl)-2-méthoxyphénoxy]-2-méthyl-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[5-[4-[[(2,6-diamino-4-pyrimidinyl)thio]methyl]-5-propyl-2-thiazolyl]-2-methoxyphenoxy]-2-methyl- [ACD/Index Name]
2XJ

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

Density: 1.3±0.1 g/cm3
Boiling Point: 731.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 395.9±35.7 °C
Index of Refraction: 1.655
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 170.53
ACD/KOC (pH 5.5): 1209.74
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 267.45
ACD/KOC (pH 7.4): 1897.28
Polar Surface Area: 183 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 74.8±5.0 dyne/cm
Molar Volume: 353.2±5.0 cm3

Click to predict properties on the Chemicalize site


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