ChemSpider 2D Image | N-(3-Fluorobenzyl)-N-{[2-(4-fluorobenzyl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]carbonyl}glycine | C26H23F2NO4

N-(3-Fluorobenzyl)-N-{[2-(4-fluorobenzyl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]carbonyl}glycine

  • Molecular FormulaC26H23F2NO4
  • Average mass451.462 Da
  • Monoisotopic mass451.159515 Da
  • ChemSpider ID68419229

More details:

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

Glycine, N-[(3-fluorophenyl)methyl]-N-[[2-[(4-fluorophenyl)methyl]-2,3-dihydro-2-methyl-5-benzofuranyl]carbonyl]- [ACD/Index Name]
N-(3-Fluorbenzyl)-N-{[2-(4-fluorbenzyl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]carbonyl}glycin [German] [ACD/IUPAC Name]
N-(3-Fluorobenzyl)-N-{[2-(4-fluorobenzyl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]carbonyl}glycine [ACD/IUPAC Name]
N-(3-Fluorobenzyl)-N-{[2-(4-fluorobenzyl)-2-méthyl-2,3-dihydro-1-benzofuran-5-yl]carbonyl}glycine [French] [ACD/IUPAC Name]
{N-[(3-FLUOROPHENYL)METHYL]-1-{2-[(4-FLUOROPHENYL)METHYL]-2-METHYL-3H-1-BENZOFURAN-5-YL}FORMAMIDO}ACETIC ACID

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

Density: 1.3±0.1 g/cm3
Boiling Point: 653.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 348.7±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 118.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 19.67
ACD/KOC (pH 5.5): 68.64
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.87
Polar Surface Area: 67 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 341.8±3.0 cm3

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