ChemSpider 2D Image | (5S)-3-Anilino-5-(~2~H_3_)methyl-2-[(~2~H_3_)methylsulfanyl]-5-phenyl-3,5-dihydro-4H-imidazol-4-one | C17H11D6N3OS

(5S)-3-Anilino-5-(2H3)methyl-2-[(2H3)methylsulfanyl]-5-phenyl-3,5-dihydro-4H-imidazol-4-one

  • Molecular FormulaC17H11D6N3OS
  • Average mass317.438 Da
  • Monoisotopic mass317.146881 Da
  • ChemSpider ID58784180
  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(5S)-3-Anilino-5-(2H3)methyl-2-[(2H3)methylsulfanyl]-5-phenyl-3,5-dihydro-4H-imidazol-4-on [German] [ACD/IUPAC Name]
(5S)-3-Anilino-5-(2H3)methyl-2-[(2H3)methylsulfanyl]-5-phenyl-3,5-dihydro-4H-imidazol-4-one [ACD/IUPAC Name]
(5S)-3-Anilino-5-(2H3)méthyl-2-[(2H3)méthylsulfanyl]-5-phényl-3,5-dihydro-4H-imidazol-4-one [French] [ACD/IUPAC Name]
4H-Imidazol-4-one, 3,5-dihydro-5-(methyl-d3)-2-(methyl-d3-thio)-5-phenyl-3-(phenylamino)-, (5S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 443.0±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 221.7±29.6 °C
Index of Refraction: 1.638
Molar Refractivity: 92.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.12
ACD/KOC (pH 5.5): 1046.35
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.12
ACD/KOC (pH 7.4): 1046.36
Polar Surface Area: 70 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 256.4±7.0 cm3

Click to predict properties on the Chemicalize site






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