ChemSpider 2D Image | 5-(4-(((4,6-Diaminopyrimidin-2-Yl)thio)methyl)-5-Propylthiazol-2-Yl)-2-Methoxyphenol | C18H21N5O2S2

5-(4-(((4,6-Diaminopyrimidin-2-Yl)thio)methyl)-5-Propylthiazol-2-Yl)-2-Methoxyphenol

  • Molecular FormulaC18H21N5O2S2
  • Average mass403.522 Da
  • Monoisotopic mass403.113678 Da
  • ChemSpider ID30832665

More details:






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

5-(4-(((4,6-Diaminopyrimidin-2-Yl)thio)methyl)-5-Propylthiazol-2-Yl)-2-Methoxyphenol
5-(4-{[(4,6-Diamino-2-pyrimidinyl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenol [German] [ACD/IUPAC Name]
5-(4-{[(4,6-Diamino-2-pyrimidinyl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenol [ACD/IUPAC Name]
5-(4-{[(4,6-Diamino-2-pyrimidinyl)sulfanyl]méthyl}-5-propyl-1,3-thiazol-2-yl)-2-méthoxyphénol [French] [ACD/IUPAC Name]
Phenol, 5-[4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-5-propyl-2-thiazolyl]-2-methoxy- [ACD/Index Name]
10.1021/jm400457y
2XL

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

Density: 1.4±0.1 g/cm3
Boiling Point: 694.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 373.8±34.3 °C
Index of Refraction: 1.702
Molar Refractivity: 109.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 152.81
ACD/KOC (pH 5.5): 1162.40
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 204.80
ACD/KOC (pH 7.4): 1557.89
Polar Surface Area: 174 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 86.9±5.0 dyne/cm
Molar Volume: 282.2±5.0 cm3

Click to predict properties on the Chemicalize site






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