ChemSpider 2D Image | 4-[(1S)-2-{[4-(1H-Benzimidazol-1-yl)-2-methyl-2-butanyl]amino}-1-hydroxyethyl]-3-fluorophenol | C20H24FN3O2

4-[(1S)-2-{[4-(1H-Benzimidazol-1-yl)-2-methyl-2-butanyl]amino}-1-hydroxyethyl]-3-fluorophenol

  • Molecular FormulaC20H24FN3O2
  • Average mass357.422 Da
  • Monoisotopic mass357.185242 Da
  • ChemSpider ID34986703

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[(1S)-2-{[4-(1H-Benzimidazol-1-yl)-2-methyl-2-butanyl]amino}-1-hydroxyethyl]-3-fluorophenol [ACD/IUPAC Name]
4-[(1S)-2-{[4-(1H-Benzimidazol-1-yl)-2-méthyl-2-butanyl]amino}-1-hydroxyéthyl]-3-fluorophénol [French] [ACD/IUPAC Name]
4-[(1S)-2-{[4-(1H-Benzimidazol-1-yl)-2-methyl-2-butanyl]amino}-1-hydroxyethyl]-3-fluorphenol [German] [ACD/IUPAC Name]
Benzenemethanol, α-[[[3-(1H-benzimidazol-1-yl)-1,1-dimethylpropyl]amino]methyl]-2-fluoro-4-hydroxy-, (αS)- [ACD/Index Name]
73865-18-6 [RN]
nardeterol [INN]
UNII-70859437W3

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

Density: 1.2±0.1 g/cm3
Boiling Point: 566.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 296.7±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 98.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.32
ACD/KOC (pH 7.4): 13.41
Polar Surface Area: 70 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 290.2±7.0 cm3

Click to predict properties on the Chemicalize site


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