ChemSpider 2D Image | PTI-3 | C21H28FN3OS

PTI-3

  • Molecular FormulaC21H28FN3OS
  • Average mass389.530 Da
  • Monoisotopic mass389.193726 Da
  • ChemSpider ID79413292

More details:

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

4-Thiazolemethanamine, 2-[1-(5-fluoropentyl)-1H-indol-3-yl]-N-(2-methoxyethyl)-N-methyl- [ACD/Index Name]
N-({2-[1-(5-Fluoropentyl)-1H-indol-3-yl]-1,3-thiazol-4-yl}methyl)-2-methoxy-N-methylethanamine [ACD/IUPAC Name]
N-({2-[1-(5-Fluoropentyl)-1H-indol-3-yl]-1,3-thiazol-4-yl}méthyl)-2-méthoxy-N-méthyléthanamine [French] [ACD/IUPAC Name]
N-({2-[1-(5-Fluorpentyl)-1H-indol-3-yl]-1,3-thiazol-4-yl}methyl)-2-methoxy-N-methylethanamin [German] [ACD/IUPAC Name]
PTI-3
N-((2-(1-(5-fluoropentyl)-1H-indol-3-yl)thiazol-4-yl)methyl)-2-methoxy-N-methylethan-1-amine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 534.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.1±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 111.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 55.53
ACD/KOC (pH 5.5): 295.50
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 640.30
ACD/KOC (pH 7.4): 3407.41
Polar Surface Area: 59 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 40.8±7.0 dyne/cm
Molar Volume: 333.5±7.0 cm3

Click to predict properties on the Chemicalize site


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