ChemSpider 2D Image | (1R,5R,6R)-1'-Acetyl-3-methyl-5-phenylspiro[2,7-dioxa-4-azabicyclo[3.2.0]hept-3-ene-6,3'-indol]-2'(1'H)-one | C20H16N2O4

(1R,5R,6R)-1'-Acetyl-3-methyl-5-phenylspiro[2,7-dioxa-4-azabicyclo[3.2.0]hept-3-ene-6,3'-indol]-2'(1'H)-one

  • Molecular FormulaC20H16N2O4
  • Average mass348.352 Da
  • Monoisotopic mass348.110992 Da
  • ChemSpider ID24731433

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,5R,6R)-1'-Acetyl-3-methyl-5-phenylspiro[2,7-dioxa-4-azabicyclo[3.2.0]hept-3-ene-6,3'-indol]-2'(1'H)-one [ACD/IUPAC Name]
Spiro[4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene-7,3'-[3H]indol]-2'(1'H)-one, 1'-acetyl-3-methyl-1-phenyl-, (1R,5R,7R)- [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: 581.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.3±30.1 °C
Index of Refraction: 1.699
Molar Refractivity: 94.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 253.12
ACD/KOC (pH 5.5): 1826.49
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 253.70
ACD/KOC (pH 7.4): 1830.69
Polar Surface Area: 68 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 243.9±7.0 cm3

Click to predict properties on the Chemicalize site


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