ChemSpider 2D Image | (1R,3S)-N-(3,5-Dimethoxyphenyl)-1,2-dihydro-3'H-spiro[benzo[f]chromene-3,1'-[2]benzofuran]-1-amine | C28H25NO4

(1R,3S)-N-(3,5-Dimethoxyphenyl)-1,2-dihydro-3'H-spiro[benzo[f]chromene-3,1'-[2]benzofuran]-1-amine

  • Molecular FormulaC28H25NO4
  • Average mass439.502 Da
  • Monoisotopic mass439.178345 Da
  • ChemSpider ID30652094

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3S)-N-(3,5-Dimethoxyphenyl)-1,2-dihydro-3'H-spiro[benzo[f]chromene-3,1'-[2]benzofuran]-1-amine [ACD/IUPAC Name]
Spiro[isobenzofuran-1(3H),3'-[3H]naphtho[2,1-b]pyran]-1'-amine, N-(3,5-dimethoxyphenyl)-1',2'-dihydro-, (1S,1'R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 659.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 270.2±21.0 °C
Index of Refraction: 1.692
Molar Refractivity: 128.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 7104.55
ACD/KOC (pH 5.5): 19878.35
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 7112.56
ACD/KOC (pH 7.4): 19900.74
Polar Surface Area: 49 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 334.0±5.0 cm3

Click to predict properties on the Chemicalize site


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