ChemSpider 2D Image | N-(cis-3-{6-[(3,4-Dichlorobenzyl)amino]-9H-purin-9-yl}cyclobutyl)-6-methyl-2-pyridinecarboxamide | C23H21Cl2N7O

N-(cis-3-{6-[(3,4-Dichlorobenzyl)amino]-9H-purin-9-yl}cyclobutyl)-6-methyl-2-pyridinecarboxamide

  • Molecular FormulaC23H21Cl2N7O
  • Average mass482.365 Da
  • Monoisotopic mass481.118469 Da
  • ChemSpider ID76784090

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyridinecarboxamide, N-[cis-3-[6-[[(3,4-dichlorophenyl)methyl]amino]-9H-purin-9-yl]cyclobutyl]-6-methyl- [ACD/Index Name]
N-(cis-3-{6-[(3,4-Dichlorbenzyl)amino]-9H-purin-9-yl}cyclobutyl)-6-methyl-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-(cis-3-{6-[(3,4-Dichlorobenzyl)amino]-9H-purin-9-yl}cyclobutyl)-6-methyl-2-pyridinecarboxamide [ACD/IUPAC Name]
N-(cis-3-{6-[(3,4-Dichlorobenzyl)amino]-9H-purin-9-yl}cyclobutyl)-6-méthyl-2-pyridinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.750
Molar Refractivity: 127.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 699.96
ACD/KOC (pH 5.5): 3771.73
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 708.78
ACD/KOC (pH 7.4): 3819.26
Polar Surface Area: 98 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 60.9±7.0 dyne/cm
Molar Volume: 314.0±7.0 cm3

Click to predict properties on the Chemicalize site


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