ChemSpider 2D Image | 6-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-9-(2-methoxyethyl)-9H-purine | C20H22ClN7OS

6-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-9-(2-methoxyethyl)-9H-purine

  • Molecular FormulaC20H22ClN7OS
  • Average mass443.953 Da
  • Monoisotopic mass443.129517 Da
  • ChemSpider ID103707236

More details:

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

6-[4-(7-Chlor-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-9-(2-methoxyethyl)-9H-purin [German] [ACD/IUPAC Name]
6-[4-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-9-(2-methoxyethyl)-9H-purine [ACD/IUPAC Name]
6-[4-(7-Chloro-4-méthyl-1,3-benzothiazol-2-yl)-1-pipérazinyl]-9-(2-méthoxyéthyl)-9H-purine [French] [ACD/IUPAC Name]
Benzothiazole, 7-chloro-2-[4-[9-(2-methoxyethyl)-9H-purin-6-yl]-1-piperazinyl]-4-methyl- [ACD/Index Name]
2640956-37-0 [RN]
6-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-9-(2-methoxyethyl)-9H-purine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 651.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.9±34.3 °C
Index of Refraction: 1.756
Molar Refractivity: 119.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 6.57
ACD/KOC (pH 5.5): 56.66
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 109.00
ACD/KOC (pH 7.4): 940.50
Polar Surface Area: 100 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 61.5±7.0 dyne/cm
Molar Volume: 291.6±7.0 cm3

Click to predict properties on the Chemicalize site


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