ChemSpider 2D Image | (5S)-5-[(3R,5R,7R)-Adamantan-1-yl]-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one | C22H29N3O2

(5S)-5-[(3R,5R,7R)-Adamantan-1-yl]-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one

  • Molecular FormulaC22H29N3O2
  • Average mass367.485 Da
  • Monoisotopic mass367.225983 Da
  • ChemSpider ID26329332

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5S)-5-[(3R,5R,7R)-Adamantan-1-yl]-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-on [German] [ACD/IUPAC Name]
(5S)-5-[(3R,5R,7R)-Adamantan-1-yl]-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one [ACD/IUPAC Name]
(5S)-5-[(3R,5R,7R)-Adamantan-1-yl]-2-amino-5-(4-méthoxy-3-méthylphényl)-3-méthyl-3,5-dihydro-4H-imidazol-4-one [French] [ACD/IUPAC Name]
4H-Imidazol-4-one, 2-amino-3,5-dihydro-5-(4-methoxy-3-methylphenyl)-3-methyl-5-tricyclo[3.3.1.13,7]dec-1-yl-, (5S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 500.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.5±32.9 °C
Index of Refraction: 1.693
Molar Refractivity: 102.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 12.62
ACD/KOC (pH 5.5): 85.93
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 223.77
ACD/KOC (pH 7.4): 1524.04
Polar Surface Area: 68 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 268.2±7.0 cm3

Click to predict properties on the Chemicalize site


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