ChemSpider 2D Image | (5S,10bS)-5-(4-Butoxyphenyl)-2-(4-ethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine | C28H30N2O3

(5S,10bS)-5-(4-Butoxyphenyl)-2-(4-ethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

  • Molecular FormulaC28H30N2O3
  • Average mass442.549 Da
  • Monoisotopic mass442.225647 Da
  • ChemSpider ID62448317

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,10bS)-5-(4-Butoxyphenyl)-2-(4-ethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin [German] [ACD/IUPAC Name]
(5S,10bS)-5-(4-Butoxyphenyl)-2-(4-ethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine [ACD/IUPAC Name]
(5S,10bS)-5-(4-Butoxyphényl)-2-(4-éthoxyphényl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine [French] [ACD/IUPAC Name]
5H-Pyrazolo[1,5-c][1,3]benzoxazine, 5-(4-butoxyphenyl)-2-(4-ethoxyphenyl)-1,10b-dihydro-, (5S,10bS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 588.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.5±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 129.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6151.39
ACD/KOC (pH 5.5): 17427.09
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6798.61
ACD/KOC (pH 7.4): 19260.69
Polar Surface Area: 43 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 373.6±7.0 cm3

Click to predict properties on the Chemicalize site


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