ChemSpider 2D Image | 2-Hydroxy-3-[(3-methoxypropyl){[5-(2-methyl-1-piperidinyl)-3-phenyl-1,2-oxazol-4-yl]methyl}amino]propyl butyrate | C27H41N3O5

2-Hydroxy-3-[(3-methoxypropyl){[5-(2-methyl-1-piperidinyl)-3-phenyl-1,2-oxazol-4-yl]methyl}amino]propyl butyrate

  • Molecular FormulaC27H41N3O5
  • Average mass487.632 Da
  • Monoisotopic mass487.304626 Da
  • ChemSpider ID22695528

More details:

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

2-Hydroxy-3-[(3-methoxypropyl){[5-(2-methyl-1-piperidinyl)-3-phenyl-1,2-oxazol-4-yl]methyl}amino]propyl butyrate [ACD/IUPAC Name]
2-Hydroxy-3-[(3-methoxypropyl){[5-(2-methyl-1-piperidinyl)-3-phenyl-1,2-oxazol-4-yl]methyl}amino]propylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, 2-hydroxy-3-[(3-methoxypropyl)[[5-(2-methyl-1-piperidinyl)-3-phenyl-4-isoxazolyl]methyl]amino]propyl ester [ACD/Index Name]
Butyrate de 2-hydroxy-3-[(3-méthoxypropyl){[5-(2-méthyl-1-pipéridinyl)-3-phényl-1,2-oxazol-4-yl]méthyl}amino]propyle [French] [ACD/IUPAC 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: 645.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 344.0±31.5 °C
Index of Refraction: 1.533
Molar Refractivity: 135.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 128.36
ACD/KOC (pH 5.5): 714.68
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 602.00
ACD/KOC (pH 7.4): 3351.76
Polar Surface Area: 88 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 435.9±3.0 cm3

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