ChemSpider 2D Image | 1-[5-(4-{[(4,6-Diamino-2-pyrimidinyl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methyl-2-propanol | C22H29N5O3S2

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

  • Molecular FormulaC22H29N5O3S2
  • Average mass475.627 Da
  • Monoisotopic mass475.171173 Da
  • ChemSpider ID30832670

More details:






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

1-[5-(4-{[(4,6-Diamino-2-pyrimidinyl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methyl-2-propanol [German] [ACD/IUPAC Name]
1-[5-(4-{[(4,6-Diamino-2-pyrimidinyl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methyl-2-propanol [ACD/IUPAC Name]
1-[5-(4-{[(4,6-Diamino-2-pyrimidinyl)sulfanyl]méthyl}-5-propyl-1,3-thiazol-2-yl)-2-méthoxyphénoxy]-2-méthyl-2-propanol [French] [ACD/IUPAC Name]
1-[5-(4-{[(4,6-Diaminopyrimidin-2-Yl)sulfanyl]methyl}-5-Propyl-1,3-Thiazol-2-Yl)-2-Methoxyphenoxy]-2-Methylpropan-2-Ol
2-Propanol, 1-[5-[4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-5-propyl-2-thiazolyl]-2-methoxyphenoxy]-2-methyl- [ACD/Index Name]
10.1021/jm400457y
1UX

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 720.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 389.3±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: 2
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 398.78
ACD/KOC (pH 5.5): 2307.80
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 548.82
ACD/KOC (pH 7.4): 3176.08
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






Advertisement