ChemSpider 2D Image | N-{4-[(2S)-3-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-2-hydroxypropoxy]-3-(1,2-oxazol-5-yl)phenyl}butanamide | C26H33N3O6

N-{4-[(2S)-3-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-2-hydroxypropoxy]-3-(1,2-oxazol-5-yl)phenyl}butanamide

  • Molecular FormulaC26H33N3O6
  • Average mass483.557 Da
  • Monoisotopic mass483.236938 Da
  • ChemSpider ID34990274

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Butanamide, N-[4-[(2S)-3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-hydroxypropoxy]-3-(5-isoxazolyl)phenyl]- [ACD/Index Name]
N-{4-[(2S)-3-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-2-hydroxypropoxy]-3-(1,2-oxazol-5-yl)phenyl}butanamid [German] [ACD/IUPAC Name]
N-{4-[(2S)-3-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-2-hydroxypropoxy]-3-(1,2-oxazol-5-yl)phenyl}butanamide [ACD/IUPAC Name]
N-{4-[(2S)-3-{[2-(3,4-Diméthoxyphényl)éthyl]amino}-2-hydroxypropoxy]-3-(1,2-oxazol-5-yl)phényl}butanamide [French] [ACD/IUPAC Name]
77695-52-4 [RN]
Ecastolol [INN]
UNII-EEB95DS30P

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

LDW95V8PGG [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 732.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 396.8±32.9 °C
Index of Refraction: 1.575
Molar Refractivity: 132.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.14
Polar Surface Area: 115 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 402.3±3.0 cm3

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