ChemSpider 2D Image | N-Benzyl-N-{[4-(4-{[4-(4-heptanyl)phenoxy]methyl}phenyl)-1,3-thiazol-2-yl]methyl}glycine | C33H38N2O3S

N-Benzyl-N-{[4-(4-{[4-(4-heptanyl)phenoxy]methyl}phenyl)-1,3-thiazol-2-yl]methyl}glycine

  • Molecular FormulaC33H38N2O3S
  • Average mass542.731 Da
  • Monoisotopic mass542.260315 Da
  • ChemSpider ID9413112

More details:

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

Glycine, N-(phenylmethyl)-N-[[4-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]-2-thiazolyl]methyl]- [ACD/Index Name]
N-Benzyl-N-{[4-(4-{[4-(4-heptanyl)phenoxy]methyl}phenyl)-1,3-thiazol-2-yl]methyl}glycin [German] [ACD/IUPAC Name]
N-Benzyl-N-{[4-(4-{[4-(4-heptanyl)phenoxy]methyl}phenyl)-1,3-thiazol-2-yl]methyl}glycine [ACD/IUPAC Name]
N-Benzyl-N-{[4-(4-{[4-(4-heptanyl)phénoxy]méthyl}phényl)-1,3-thiazol-2-yl]méthyl}glycine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 686.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 368.8±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 159.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 10.39
ACD/LogD (pH 5.5): 6.71
ACD/BCF (pH 5.5): 25250.71
ACD/KOC (pH 5.5): 13890.79
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 913.41
ACD/KOC (pH 7.4): 502.48
Polar Surface Area: 91 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 466.6±3.0 cm3

Click to predict properties on the Chemicalize site


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