ChemSpider 2D Image | 2-{[(1,3-Benzodioxol-5-ylmethyl)(3,3-diphenylpropyl)amino]methyl}-N-butyl-1,3-thiazole-4-carboxamide | C32H35N3O3S

2-{[(1,3-Benzodioxol-5-ylmethyl)(3,3-diphenylpropyl)amino]methyl}-N-butyl-1,3-thiazole-4-carboxamide

  • Molecular FormulaC32H35N3O3S
  • Average mass541.704 Da
  • Monoisotopic mass541.239929 Da
  • ChemSpider ID22581663

More details:

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

2-{[(1,3-Benzodioxol-5-ylmethyl)(3,3-diphenylpropyl)amino]methyl}-N-butyl-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
2-{[(1,3-Benzodioxol-5-ylmethyl)(3,3-diphenylpropyl)amino]methyl}-N-butyl-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
2-{[(1,3-Benzodioxol-5-ylméthyl)(3,3-diphénylpropyl)amino]méthyl}-N-butyl-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolecarboxamide, 2-[[(1,3-benzodioxol-5-ylmethyl)(3,3-diphenylpropyl)amino]methyl]-N-butyl- [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: 707.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.8±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 157.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.49
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 4616.29
ACD/KOC (pH 5.5): 10934.93
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12500.27
ACD/KOC (pH 7.4): 29610.26
Polar Surface Area: 92 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 448.0±3.0 cm3

Click to predict properties on the Chemicalize site


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