ChemSpider 2D Image | 1-[Cyclohexyl(methyl)amino]-3-(2-methoxy-4-{[methyl(1,2-oxazol-3-ylmethyl)amino]methyl}phenoxy)-2-propanol | C23H35N3O4

1-[Cyclohexyl(methyl)amino]-3-(2-methoxy-4-{[methyl(1,2-oxazol-3-ylmethyl)amino]methyl}phenoxy)-2-propanol

  • Molecular FormulaC23H35N3O4
  • Average mass417.542 Da
  • Monoisotopic mass417.262756 Da
  • ChemSpider ID22167351

More details:

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

1-[Cyclohexyl(methyl)amino]-3-(2-methoxy-4-{[methyl(1,2-oxazol-3-ylmethyl)amino]methyl}phenoxy)-2-propanol [ACD/IUPAC Name]
1-[Cyclohexyl(methyl)amino]-3-(2-methoxy-4-{[methyl(1,2-oxazol-3-ylmethyl)amino]methyl}phenoxy)-2-propanol [German] [ACD/IUPAC Name]
1-[Cyclohexyl(méthyl)amino]-3-(2-méthoxy-4-{[méthyl(1,2-oxazol-3-ylméthyl)amino]méthyl}phénoxy)-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-(cyclohexylmethylamino)-3-[4-[[(3-isoxazolylmethyl)methylamino]methyl]-2-methoxyphenoxy]- [ACD/Index Name]
1-[cyclohexyl(methyl)amino]-3-(4-{[(3-isoxazolylmethyl)(methyl)amino]methyl}-2-methoxyphenoxy)-2-propanol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 569.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 298.0±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 117.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 2.93
ACD/KOC (pH 7.4): 31.07
Polar Surface Area: 71 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 357.4±5.0 cm3

Click to predict properties on the Chemicalize site


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