ChemSpider 2D Image | (1R,7S,8R,10S)-8-Hydroxy-10-[(2-methoxyphenyl)(dimethyl)silyl]-4-phenyl-2,4,6-triazatricyclo[5.2.1.0~2,6~]decane-3,5-dione | C22H25N3O4Si

(1R,7S,8R,10S)-8-Hydroxy-10-[(2-methoxyphenyl)(dimethyl)silyl]-4-phenyl-2,4,6-triazatricyclo[5.2.1.02,6]decane-3,5-dione

  • Molecular FormulaC22H25N3O4Si
  • Average mass423.537 Da
  • Monoisotopic mass423.161438 Da
  • ChemSpider ID30659231

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,7S,8R,10S)-8-Hydroxy-10-[(2-methoxyphenyl)(dimethyl)silyl]-4-phenyl-2,4,6-triazatricyclo[5.2.1.02,6]decan-3,5-dion [German] [ACD/IUPAC Name]
(1R,7S,8R,10S)-8-Hydroxy-10-[(2-methoxyphenyl)(dimethyl)silyl]-4-phenyl-2,4,6-triazatricyclo[5.2.1.02,6]decane-3,5-dione [ACD/IUPAC Name]
(1R,7S,8R,10S)-8-Hydroxy-10-[(2-méthoxyphényl)(diméthyl)silyl]-4-phényl-2,4,6-triazatricyclo[5.2.1.02,6]décane-3,5-dione [French] [ACD/IUPAC Name]
5,8-Methano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, tetrahydro-6-hydroxy-10-[(2-methoxyphenyl)dimethylsilyl]-2-phenyl-, (5S,6R,8R,10S)- [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: 543.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 282.6±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 117.68
ACD/KOC (pH 5.5): 1056.35
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 117.68
ACD/KOC (pH 7.4): 1056.35
Polar Surface Area: 73 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 310.9±5.0 cm3

Click to predict properties on the Chemicalize site


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