ChemSpider 2D Image | (4S)-1-Benzyl-3-[4,4-difluoro-6-(2H-tetrazol-5-yl)hexyl]-4-[(1E)-3-hydroxy-4-phenyl-1-buten-1-yl]-2-imidazolidinone | C27H32F2N6O2

(4S)-1-Benzyl-3-[4,4-difluoro-6-(2H-tetrazol-5-yl)hexyl]-4-[(1E)-3-hydroxy-4-phenyl-1-buten-1-yl]-2-imidazolidinone

  • Molecular FormulaC27H32F2N6O2
  • Average mass510.579 Da
  • Monoisotopic mass510.255493 Da
  • ChemSpider ID8159408

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4S)-1-Benzyl-3-[4,4-difluor-6-(2H-tetrazol-5-yl)hexyl]-4-[(1E)-3-hydroxy-4-phenyl-1-buten-1-yl]-2-imidazolidinon [German] [ACD/IUPAC Name]
(4S)-1-Benzyl-3-[4,4-difluoro-6-(2H-tetrazol-5-yl)hexyl]-4-[(1E)-3-hydroxy-4-phenyl-1-buten-1-yl]-2-imidazolidinone [ACD/IUPAC Name]
(4S)-1-Benzyl-3-[4,4-difluoro-6-(2H-tétrazol-5-yl)hexyl]-4-[(1E)-3-hydroxy-4-phényl-1-butén-1-yl]-2-imidazolidinone [French] [ACD/IUPAC Name]
2-Imidazolidinone, 3-[4,4-difluoro-6-(2H-tetrazol-5-yl)hexyl]-4-[(1E)-3-hydroxy-4-phenyl-1-buten-1-yl]-1-(phenylmethyl)-, (4S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 710.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 383.7±35.7 °C
Index of Refraction: 1.626
Molar Refractivity: 138.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 331.27
ACD/KOC (pH 5.5): 1634.01
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 15.73
ACD/KOC (pH 7.4): 77.60
Polar Surface Area: 98 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 389.9±3.0 cm3

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