ChemSpider 2D Image | (S)-ancarolol | C18H24N2O4

(S)-ancarolol

  • Molecular FormulaC18H24N2O4
  • Average mass332.394 Da
  • Monoisotopic mass332.173615 Da
  • ChemSpider ID34983425

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-ancarolol
2-Furancarboxamide, N-[2-[(2S)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]- [ACD/Index Name]
N-(2-{(2S)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-2-furamid [German] [ACD/IUPAC Name]
N-(2-{(2S)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-2-furamide [ACD/IUPAC Name]
N-(2-{(2S)-2-Hydroxy-3-[(2-méthyl-2-propanyl)amino]propoxy}phényl)-2-furamide [French] [ACD/IUPAC Name]
75748-50-4 [RN]
Ancarolol [INN]
ANCAROLOL, (S)-
UNII-00EED65INL

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

VG7WWT45BN [DBID]
UNII:VG7WWT45BN [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: 433.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 216.1±28.7 °C
Index of Refraction: 1.574
Molar Refractivity: 92.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.79
Polar Surface Area: 84 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 280.9±3.0 cm3

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