ChemSpider 2D Image | laprafylline | C29H36N6O2

laprafylline

  • Molecular FormulaC29H36N6O2
  • Average mass500.635 Da
  • Monoisotopic mass500.289978 Da
  • ChemSpider ID59233

More details:

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

1H-Purine-2,6-dione, 8-[2-[4-(diphenylmethyl)-1-piperazinyl]ethyl]-3,7-dihydro-1-methyl-3-(2-methylpropyl)- [ACD/Index Name]
3,7-Dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)-1-methyl-3-(2-methylpropyl)-1H-purine-2,6-dione
8-(2-(4-Benzhydrylpiperazin-1-yl)ethyl)-3-isobutyl-1-methyl-1H-purine-2,6(3H,7H)-dione
8-{2-[4-(Diphenylmethyl)-1-piperazinyl]ethyl}-3-isobutyl-1-methyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-{2-[4-(Diphenylmethyl)-1-piperazinyl]ethyl}-3-isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-{2-[4-(Diphénylméthyl)-1-pipérazinyl]éthyl}-3-isobutyl-1-méthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
8-{2-[4-(Diphenylmethyl)piperazin-1-yl]ethyl}-3-isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione
90749-32-9 [RN]
laprafilina [Spanish] [INN]
laprafylline [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6272 [DBID]
F427P36M7J [DBID]
BRN 5679594 [DBID]
S 10257 [DBID]
S 9795 [DBID]
S-9795 [DBID]
UNII:F427P36M7J [DBID]
UNII-F427P36M7J [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 692.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.6±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 143.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 14.17
ACD/KOC (pH 5.5): 90.57
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 277.45
ACD/KOC (pH 7.4): 1772.91
Polar Surface Area: 76 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 413.4±3.0 cm3

Click to predict properties on the Chemicalize site


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