ChemSpider 2D Image | (5S)-5-[(3R,5R,7R)-Adamantan-1-yl]-2-imino-3-methyl-5-phenyl-4-imidazolidinone | C20H25N3O

(5S)-5-[(3R,5R,7R)-Adamantan-1-yl]-2-imino-3-methyl-5-phenyl-4-imidazolidinone

  • Molecular FormulaC20H25N3O
  • Average mass323.432 Da
  • Monoisotopic mass323.199768 Da
  • ChemSpider ID65322514

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5S)-2-amino-3-methyl-5-phenyl-5-[(3S,5S,7S)-tricyclo[3.3.1.13,7]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one
(5S)-5-[(3R,5R,7R)-Adamantan-1-yl]-2-imino-3-methyl-5-phenyl-4-imidazolidinon [German] [ACD/IUPAC Name]
(5S)-5-[(3R,5R,7R)-Adamantan-1-yl]-2-imino-3-methyl-5-phenyl-4-imidazolidinone [ACD/IUPAC Name]
(5S)-5-[(3R,5R,7R)-Adamantan-1-yl]-2-imino-3-méthyl-5-phényl-4-imidazolidinone [French] [ACD/IUPAC Name]
4-Imidazolidinone, 2-imino-3-methyl-5-phenyl-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: 431.3±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 214.7±29.6 °C
Index of Refraction: 1.733
Molar Refractivity: 92.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 172.15
ACD/KOC (pH 5.5): 1265.54
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 236.48
ACD/KOC (pH 7.4): 1738.50
Polar Surface Area: 56 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 231.4±7.0 cm3

Click to predict properties on the Chemicalize site


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