ChemSpider 2D Image | {(2Z)-2-[(4-Iodophenyl)imino]-8-methyl-3-[(4-methylphenyl)carbamoyl]-2H-pyrano[2,3-c]pyridin-5-yl}methyl acetate | C26H22IN3O4

{(2Z)-2-[(4-Iodophenyl)imino]-8-methyl-3-[(4-methylphenyl)carbamoyl]-2H-pyrano[2,3-c]pyridin-5-yl}methyl acetate

  • Molecular FormulaC26H22IN3O4
  • Average mass567.375 Da
  • Monoisotopic mass567.065491 Da
  • ChemSpider ID3652300

  • Double-bond stereo - Double-bond stereo

More details:

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

{(2Z)-2-[(4-Iodophenyl)imino]-8-methyl-3-[(4-methylphenyl)carbamoyl]-2H-pyrano[2,3-c]pyridin-5-yl}methyl acetate [ACD/IUPAC Name]
{(2Z)-2-[(4-Iodphenyl)imino]-8-methyl-3-[(4-methylphenyl)carbamoyl]-2H-pyrano[2,3-c]pyridin-5-yl}methyl-acetat [German] [ACD/IUPAC Name]
2H-Pyrano[2,3-c]pyridine-3-carboxamide, 5-[(acetyloxy)methyl]-2-[(4-iodophenyl)imino]-8-methyl-N-(4-methylphenyl)-, (2Z)- [ACD/Index Name]
Acétate de {(2Z)-2-[(4-iodophényl)imino]-8-méthyl-3-[(4-méthylphényl)carbamoyl]-2H-pyrano[2,3-c]pyridin-5-yl}méthyle [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: 1.661
Molar Refractivity: 137.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8160.04
ACD/KOC (pH 5.5): 21953.97
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8164.04
ACD/KOC (pH 7.4): 21964.73
Polar Surface Area: 90 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 373.3±7.0 cm3

Click to predict properties on the Chemicalize site


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