ChemSpider 2D Image | (1S,2S,5R,6R,7R)-N~6~-(3-Chloro-4-methylphenyl)-N~2~-cyclohexyl-4-oxo-3-[(2S)-tetrahydro-2-furanylmethyl]-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C28H34ClN3O5

(1S,2S,5R,6R,7R)-N6-(3-Chloro-4-methylphenyl)-N2-cyclohexyl-4-oxo-3-[(2S)-tetrahydro-2-furanylmethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

  • Molecular FormulaC28H34ClN3O5
  • Average mass528.040 Da
  • Monoisotopic mass527.218689 Da
  • ChemSpider ID62323238

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2S,5R,6R,7R)-N6-(3-Chlor-4-methylphenyl)-N2-cyclohexyl-4-oxo-3-[(2S)-tetrahydro-2-furanylmethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2,6-dicarboxamid [German] [ACD/IUPAC Name]
(1S,2S,5R,6R,7R)-N6-(3-Chloro-4-methylphenyl)-N2-cyclohexyl-4-oxo-3-[(2S)-tetrahydro-2-furanylmethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
(1S,2S,5R,6R,7R)-N6-(3-Chloro-4-méthylphényl)-N2-cyclohexyl-4-oxo-3-[(2S)-tétrahydro-2-furanylméthyl]-10-oxa-3-azatricyclo[5.2.1.01,5]déc-8-ène-2,6-dicarboxamide [French] [ACD/IUPAC Name]
3a,6-Epoxy-3aH-isoindole-3,7-dicarboxamide, N7-(3-chloro-4-methylphenyl)-N3-cyclohexyl-1,2,3,6,7,7a-hexahydro-1-oxo-2-[[(2S)-tetrahydro-2-furanyl]methyl]-, (3S,3aS,6R,7R,7aR)- [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: 816.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 447.4±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 138.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 320.95
ACD/KOC (pH 5.5): 2166.27
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 320.95
ACD/KOC (pH 7.4): 2166.27
Polar Surface Area: 97 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 386.3±5.0 cm3

Click to predict properties on the Chemicalize site


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