ChemSpider 2D Image | 2-({[4-(Benzyloxy)benzyl][2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide | C32H37N3O5S

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

  • Molecular FormulaC32H37N3O5S
  • Average mass575.718 Da
  • Monoisotopic mass575.245361 Da
  • ChemSpider ID4394531

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-(2-methoxyethyl)-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
2-({[4-(Benzyloxy)benzyl][2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
2-({[4-(Benzyloxy)benzyl][2-(3,4-diméthoxyphényl)éthyl]amino}méthyl)-N-(2-méthoxyéthyl)-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolecarboxamide, 2-[[[2-(3,4-dimethoxyphenyl)ethyl][[4-(phenylmethoxy)phenyl]methyl]amino]methyl]-N-(2-methoxyethyl)- [ACD/Index 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: 740.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.5±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 163.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 2799.44
ACD/KOC (pH 5.5): 7783.42
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7128.90
ACD/KOC (pH 7.4): 19820.88
Polar Surface Area: 110 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 479.1±3.0 cm3

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