ChemSpider 2D Image | MFCD02042671 | C17H20N6O4

MFCD02042671

  • Molecular FormulaC17H20N6O4
  • Average mass372.379 Da
  • Monoisotopic mass372.154602 Da
  • ChemSpider ID17756790
  • Double-bond stereo - Double-bond stereo


More details:






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

1H-Purine-2,6-dione, 3,7-dihydro-8-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-7-(2-methoxyethyl)-3-methyl- [ACD/Index Name]
8-{(2E)-2-[1-(2-Hydroxyphenyl)ethyliden]hydrazino}-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-{(2E)-2-[1-(2-Hydroxyphenyl)ethylidene]hydrazino}-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-{(2E)-2-[1-(2-Hydroxyphényl)éthylidène]hydrazino}-7-(2-méthoxyéthyl)-3-méthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
MFCD02042671
8-((2E)-2-[1-(2-HYDROXYPHENYL)ETHYLIDENE]HYDRAZINO)-7-(2-METHOXYETHYL)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 96.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.77
ACD/KOC (pH 5.5): 283.85
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.31
ACD/KOC (pH 7.4): 261.67
Polar Surface Area: 121 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 256.8±7.0 cm3

Click to predict properties on the Chemicalize site






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