ChemSpider 2D Image | 2-[(2-Amino-2-oxoethyl){6-[(3,5-dichlorobenzyl)amino]-9-methyl-9H-purin-2-yl}amino]-2-oxo-1-phenylethyl acetate | C25H23Cl2N7O4

2-[(2-Amino-2-oxoethyl){6-[(3,5-dichlorobenzyl)amino]-9-methyl-9H-purin-2-yl}amino]-2-oxo-1-phenylethyl acetate

  • Molecular FormulaC25H23Cl2N7O4
  • Average mass556.401 Da
  • Monoisotopic mass555.118835 Da
  • ChemSpider ID8682395

More details:

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

2-[(2-Amino-2-oxoethyl){6-[(3,5-dichlorbenzyl)amino]-9-methyl-9H-purin-2-yl}amino]-2-oxo-1-phenylethyl-acetat [German] [ACD/IUPAC Name]
2-[(2-Amino-2-oxoethyl){6-[(3,5-dichlorobenzyl)amino]-9-methyl-9H-purin-2-yl}amino]-2-oxo-1-phenylethyl acetate [ACD/IUPAC Name]
Acétate de 2-[(2-amino-2-oxoéthyl){6-[(3,5-dichlorobenzyl)amino]-9-méthyl-9H-purin-2-yl}amino]-2-oxo-1-phényléthyle [French] [ACD/IUPAC Name]
Benzeneacetamide, α-(acetyloxy)-N-(2-amino-2-oxoethyl)-N-[6-[[(3,5-dichlorophenyl)methyl]amino]-9-methyl-9H-purin-2-yl]- [ACD/Index 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: 798.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 437.0±35.7 °C
Index of Refraction: 1.689
Molar Refractivity: 142.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 92.63
ACD/KOC (pH 5.5): 858.85
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.85
ACD/KOC (pH 7.4): 972.14
Polar Surface Area: 145 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 372.8±7.0 cm3

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