ChemSpider 2D Image | 1-[({5-[Cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl}methyl)(3-methoxypropyl)amino]-3-isopropoxy-2-propanol | C27H43N3O4

1-[({5-[Cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl}methyl)(3-methoxypropyl)amino]-3-isopropoxy-2-propanol

  • Molecular FormulaC27H43N3O4
  • Average mass473.648 Da
  • Monoisotopic mass473.325348 Da
  • ChemSpider ID22691477

More details:

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

1-[({5-[Cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl}methyl)(3-methoxypropyl)amino]-3-isopropoxy-2-propanol [ACD/IUPAC Name]
1-[({5-[Cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl}methyl)(3-methoxypropyl)amino]-3-isopropoxy-2-propanol [German] [ACD/IUPAC Name]
1-[({5-[Cyclohexyl(méthyl)amino]-3-phényl-1,2-oxazol-4-yl}méthyl)(3-méthoxypropyl)amino]-3-isopropoxy-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[[[5-(cyclohexylmethylamino)-3-phenyl-4-isoxazolyl]methyl](3-methoxypropyl)amino]-3-(1-methylethoxy)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 619.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 328.5±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 136.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 293.48
ACD/KOC (pH 5.5): 1259.09
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1497.79
ACD/KOC (pH 7.4): 6425.82
Polar Surface Area: 71 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 430.8±3.0 cm3

Click to predict properties on the Chemicalize site


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