ChemSpider 2D Image | 7-Bromo-8-({2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}amino)-1,3-dimethyl-6,9,9a,10-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione | C23H31BrN8O3

7-Bromo-8-({2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}amino)-1,3-dimethyl-6,9,9a,10-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione

  • Molecular FormulaC23H31BrN8O3
  • Average mass547.448 Da
  • Monoisotopic mass546.170227 Da
  • ChemSpider ID23260104

More details:

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

7-Brom-8-({2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}amino)-1,3-dimethyl-6,9,9a,10-tetrahydropyrimido[2,1-f]purin-2,4(1H,3H)-dion [German] [ACD/IUPAC Name]
7-Bromo-8-({2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}amino)-1,3-dimethyl-6,9,9a,10-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione [ACD/IUPAC Name]
7-Bromo-8-({2-[4-(2-méthoxyphényl)-1-pipérazinyl]éthyl}amino)-1,3-diméthyl-6,9,9a,10-tétrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione [French] [ACD/IUPAC Name]
7-bromo-8-({2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}amino)-1,3-dimethyl-6,9,9a,10-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Pyrimido[2,1-f]purine-2,4(1H,3H)-dione, 7-bromo-6,9,9a,10-tetrahydro-8-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]amino]-1,3-dimethyl- [ACD/Index Name]
6-Bromo-7-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-1,3-dimethyl-5,8,8a,9-tetrahydro-1H-1,3,4b,8,9-pentaaza-fluorene-2,4-dione

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

Density: 1.6±0.1 g/cm3
Boiling Point: 699.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 377.0±34.3 °C
Index of Refraction: 1.717
Molar Refractivity: 136.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.49
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 10.99
ACD/KOC (pH 7.4): 146.13
Polar Surface Area: 96 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 76.5±5.0 dyne/cm
Molar Volume: 346.0±5.0 cm3

Click to predict properties on the Chemicalize site


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