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Search term: CHZHWZAKWGFQNL (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (4S)-2'-(2,2-Dimethylpropoxy)-7'-(5-pyrimidinyl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine | C24H24N4O3

(4S)-2'-(2,2-Dimethylpropoxy)-7'-(5-pyrimidinyl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine

  • Molecular FormulaC24H24N4O3
  • Average mass416.472 Da
  • Monoisotopic mass416.184845 Da
  • ChemSpider ID35035222
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4S)-2'-(2,2-Dimethylpropoxy)-7'-(5-pyrimidinyl)spiro[1,3-oxazole-4,9'-xanthen]-2-amin [German] [ACD/IUPAC Name]
(4S)-2'-(2,2-Dimethylpropoxy)-7'-(5-pyrimidinyl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine [ACD/IUPAC Name]
(4S)-2'-(2,2-Diméthylpropoxy)-7'-(5-pyrimidinyl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine [French] [ACD/IUPAC Name]
(4s)-2'-(2,2-Dimethylpropoxy)-7'-(Pyrimidin-5-Yl)spiro[1,3-Oxazole-4,9'-Xanthen]-2-Amine
Spiro[oxazole-4(5H),9'-[9H]xanthen]-2-amine, 2'-(2,2-dimethylpropoxy)-7'-(5-pyrimidinyl)-, (4S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 622.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.1±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 116.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 190.89
ACD/KOC (pH 5.5): 1133.61
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 493.24
ACD/KOC (pH 7.4): 2929.09
Polar Surface Area: 92 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 314.6±7.0 cm3

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