ChemSpider 2D Image | 2-({[4-(Benzyloxy)benzyl][2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-N-sec-butyl-1,3-thiazole-4-carboxamide | C33H39N3O4S

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

  • Molecular FormulaC33H39N3O4S
  • Average mass573.745 Da
  • Monoisotopic mass573.266113 Da
  • ChemSpider ID3458095

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-sec-butyl-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
2-({[4-(Benzyloxy)benzyl][2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-N-sec-butyl-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
2-({[4-(Benzyloxy)benzyl][2-(3,4-diméthoxyphényl)éthyl]amino}méthyl)-N-sec-butyl-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolecarboxamide, 2-[[[2-(3,4-dimethoxyphenyl)ethyl][[4-(phenylmethoxy)phenyl]methyl]amino]methyl]-N-(1-methylpropyl)- [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: 729.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 395.2±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 166.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 6011.63
ACD/KOC (pH 5.5): 13356.45
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15681.34
ACD/KOC (pH 7.4): 34840.30
Polar Surface Area: 101 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 489.6±3.0 cm3

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