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Search term: SGIXGVAAFZWPDJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-(2-{[(3-Phenylpropyl)amino]methyl}phenoxy)-3-(4-thiomorpholinyl)-2-propanol | C23H32N2O2S

1-(2-{[(3-Phenylpropyl)amino]methyl}phenoxy)-3-(4-thiomorpholinyl)-2-propanol

  • Molecular FormulaC23H32N2O2S
  • Average mass400.577 Da
  • Monoisotopic mass400.218445 Da
  • ChemSpider ID22159285

More details:

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

1-(2-{[(3-Phenylpropyl)amino]methyl}phenoxy)-3-(4-thiomorpholinyl)-2-propanol [ACD/IUPAC Name]
1-(2-{[(3-Phenylpropyl)amino]methyl}phenoxy)-3-(4-thiomorpholinyl)-2-propanol [German] [ACD/IUPAC Name]
1-(2-{[(3-Phénylpropyl)amino]méthyl}phénoxy)-3-(4-thiomorpholinyl)-2-propanol [French] [ACD/IUPAC Name]
4-Thiomorpholineethanol, α-[[2-[[(3-phenylpropyl)amino]methyl]phenoxy]methyl]- [ACD/Index Name]
1-(2-{[(3-PHENYLPROPYL)AMINO]METHYL}PHENOXY)-3-(THIOMORPHOLIN-4-YL)PROPAN-2-OL

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

Density: 1.1±0.1 g/cm3
Boiling Point: 584.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 307.2±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 118.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 3.56
ACD/KOC (pH 7.4): 20.96
Polar Surface Area: 70 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 352.7±3.0 cm3

Click to predict properties on the Chemicalize site


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