ChemSpider 2D Image | (4S)-2'-Isobutoxy-7'-(5-pyrimidinyl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine | C23H22N4O3

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

  • Molecular FormulaC23H22N4O3
  • Average mass402.446 Da
  • Monoisotopic mass402.169189 Da
  • ChemSpider ID28661443

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4s)-2'-(2-Methylpropoxy)-7'-(Pyrimidin-5-Yl)spiro[1,3-Oxazole-4,9'-Xanthen]-2-Amine
(4S)-2'-Isobutoxy-7'-(5-pyrimidinyl)spiro[1,3-oxazole-4,9'-xanthen]-2-amin [German] [ACD/IUPAC Name]
(4S)-2'-Isobutoxy-7'-(5-pyrimidinyl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine [ACD/IUPAC Name]
(4S)-2'-Isobutoxy-7'-(5-pyrimidinyl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine [French] [ACD/IUPAC Name]
Spiro[oxazole-4(5H),9'-[9H]xanthen]-2-amine, 2'-(2-methylpropoxy)-7'-(5-pyrimidinyl)-, (4S)- [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: 620.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.3±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 111.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 50.97
ACD/KOC (pH 5.5): 440.72
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 131.55
ACD/KOC (pH 7.4): 1137.35
Polar Surface Area: 92 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 294.0±7.0 cm3

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