ChemSpider 2D Image | 2-({[4-(Benzyloxy)benzyl][2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-N-hexyl-1,3-thiazolidine-4-carboxamide | C35H47N3O4S

2-({[4-(Benzyloxy)benzyl][2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-N-hexyl-1,3-thiazolidine-4-carboxamide

  • Molecular FormulaC35H47N3O4S
  • Average mass605.830 Da
  • Monoisotopic mass605.328735 Da
  • ChemSpider ID110246565

More details:

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

2-({[4-(Benzyloxy)benzyl][2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-N-hexyl-1,3-thiazolidin-4-carboxamid [German] [ACD/IUPAC Name]
2-({[4-(Benzyloxy)benzyl][2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-N-hexyl-1,3-thiazolidine-4-carboxamide [ACD/IUPAC Name]
2-({[4-(Benzyloxy)benzyl][2-(3,4-diméthoxyphényl)éthyl]amino}méthyl)-N-hexyl-1,3-thiazolidine-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolidinecarboxamide, 2-[[[2-(3,4-dimethoxyphenyl)ethyl][[4-(phenylmethoxy)phenyl]methyl]amino]methyl]-N-hexyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 767.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 418.2±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 177.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 7.25
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 460.98
ACD/KOC (pH 5.5): 716.29
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 27038.35
ACD/KOC (pH 7.4): 42013.35
Polar Surface Area: 97 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 538.8±3.0 cm3

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