ChemSpider 2D Image | PTI-2 | C23H33N3OS

PTI-2

  • Molecular FormulaC23H33N3OS
  • Average mass399.593 Da
  • Monoisotopic mass399.234436 Da
  • ChemSpider ID58827849

More details:

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

1400742-45-1 [RN]
4-Thiazolemethanamine, N-(2-methoxyethyl)-N-(1-methylethyl)-2-(1-pentyl-1H-indol-3-yl)- [ACD/Index Name]
N-(2-Methoxyethyl)-N-(1-methylethyl)-2-(1-pentyl-1H-indol-3-yl)-4-thiazolemethanamine
N-(2-Methoxyethyl)-N-{[2-(1-pentyl-1H-indol-3-yl)-1,3-thiazol-4-yl]methyl}-2-propanamin [German] [ACD/IUPAC Name]
N-(2-Methoxyethyl)-N-{[2-(1-pentyl-1H-indol-3-yl)-1,3-thiazol-4-yl]methyl}-2-propanamine [ACD/IUPAC Name]
N-(2-Méthoxyéthyl)-N-{[2-(1-pentyl-1H-indol-3-yl)-1,3-thiazol-4-yl]méthyl}-2-propanamine [French] [ACD/IUPAC Name]
PTI-2 [Wiki]
UNII:W0MO88040Q
W0MO88040Q
N-(2-methoxyethyl)-N-(1-methylethyl)-2-(1-pentyl-1H-indol-3-yl)-4-tiazol-metanamine [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 536.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.2±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 120.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 817.05
ACD/KOC (pH 5.5): 1834.66
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 12556.93
ACD/KOC (pH 7.4): 28196.32
Polar Surface Area: 59 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 39.4±7.0 dyne/cm
Molar Volume: 361.0±7.0 cm3

Click to predict properties on the Chemicalize site


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