ChemSpider 2D Image | 1-(2-Methoxy-4-{[methyl(tetrahydro-2H-pyran-4-ylmethyl)amino]methyl}phenoxy)-3-(4-thiomorpholinyl)-2-propanol | C22H36N2O4S

1-(2-Methoxy-4-{[methyl(tetrahydro-2H-pyran-4-ylmethyl)amino]methyl}phenoxy)-3-(4-thiomorpholinyl)-2-propanol

  • Molecular FormulaC22H36N2O4S
  • Average mass424.597 Da
  • Monoisotopic mass424.239563 Da
  • ChemSpider ID22144719

More details:

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

1-(2-Methoxy-4-{[methyl(tetrahydro-2H-pyran-4-ylmethyl)amino]methyl}phenoxy)-3-(4-thiomorpholinyl)-2-propanol [ACD/IUPAC Name]
1-(2-Methoxy-4-{[methyl(tetrahydro-2H-pyran-4-ylmethyl)amino]methyl}phenoxy)-3-(4-thiomorpholinyl)-2-propanol [German] [ACD/IUPAC Name]
1-(2-Méthoxy-4-{[méthyl(tétrahydro-2H-pyran-4-ylméthyl)amino]méthyl}phénoxy)-3-(4-thiomorpholinyl)-2-propanol [French] [ACD/IUPAC Name]
4-Thiomorpholineethanol, α-[[2-methoxy-4-[[methyl[(tetrahydro-2H-pyran-4-yl)methyl]amino]methyl]phenoxy]methyl]- [ACD/Index Name]
1-(2-METHOXY-4-{[METHYL(OXAN-4-YLMETHYL)AMINO]METHYL}PHENOXY)-3-(THIOMORPHOLIN-4-YL)PROPAN-2-OL
1-[2-METHOXY-4-({METHYL[(OXAN-4-YL)METHYL]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: 584.2±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: 307.1±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 119.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 7.18
ACD/KOC (pH 7.4): 77.54
Polar Surface Area: 80 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 371.5±3.0 cm3

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