ChemSpider 2D Image | 2-Amino-3-cyano-4-[4-(heptyloxy)-3-methoxyphenyl]-4H-chromen-7-yl 2-(4-fluorophenoxy)propanoate | C33H35FN2O6

2-Amino-3-cyano-4-[4-(heptyloxy)-3-methoxyphenyl]-4H-chromen-7-yl 2-(4-fluorophenoxy)propanoate

  • Molecular FormulaC33H35FN2O6
  • Average mass574.639 Da
  • Monoisotopic mass574.247925 Da
  • ChemSpider ID12013760

More details:

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

2-(4-Fluorophénoxy)propanoate de 2-amino-3-cyano-4-[4-(heptyloxy)-3-méthoxyphényl]-4H-chromén-7-yle [French] [ACD/IUPAC Name]
2-Amino-3-cyan-4-[4-(heptyloxy)-3-methoxyphenyl]-4H-chromen-7-yl-2-(4-fluorphenoxy)propanoat [German] [ACD/IUPAC Name]
2-Amino-3-cyano-4-[4-(heptyloxy)-3-methoxyphenyl]-4H-chromen-7-yl 2-(4-fluorophenoxy)propanoate [ACD/IUPAC Name]
Propanoic acid, 2-(4-fluorophenoxy)-, 2-amino-3-cyano-4-[4-(heptyloxy)-3-methoxyphenyl]-4H-1-benzopyran-7-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 719.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.8±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 155.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 7.29
ACD/BCF (pH 5.5): 205285.09
ACD/KOC (pH 5.5): 220793.38
ACD/LogD (pH 7.4): 7.29
ACD/BCF (pH 7.4): 205572.67
ACD/KOC (pH 7.4): 221102.67
Polar Surface Area: 113 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 454.7±5.0 cm3

Click to predict properties on the Chemicalize site


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