Found 1 result

Search term: QHJCEPABYDOSRB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 7-[3-(2-Chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione | C20H24ClN5O4

7-[3-(2-Chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC20H24ClN5O4
  • Average mass433.889 Da
  • Monoisotopic mass433.151672 Da
  • ChemSpider ID22530847

More details:

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

1H-Purine-2,6-dione, 7-[3-(2-chlorophenoxy)-2-hydroxypropyl]-3,7-dihydro-1,3-dimethyl-8-(1-pyrrolidinyl)- [ACD/Index Name]
7-[3-(2-Chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
7-[3-(2-Chlorophénoxy)-2-hydroxypropyl]-1,3-diméthyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
7-[3-(2-Chlorphenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1105196-76-6 [RN]
7-(3-(2-chlorophenoxy)-2-hydroxypropyl)-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
7-[3-(2-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

Density: 1.5±0.1 g/cm3
Boiling Point: 668.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 357.9±34.3 °C
Index of Refraction: 1.683
Molar Refractivity: 111.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.73
ACD/KOC (pH 5.5): 703.58
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.80
ACD/KOC (pH 7.4): 704.33
Polar Surface Area: 91 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 294.1±7.0 cm3

Click to predict properties on the Chemicalize site


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