ChemSpider 2D Image | (1R,2S,5S,6S,7S)-N~6~-Cyclohexyl-3-isopropyl-N~2~-(2-methyl-2-propanyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C23H35N3O4

(1R,2S,5S,6S,7S)-N6-Cyclohexyl-3-isopropyl-N2-(2-methyl-2-propanyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

  • Molecular FormulaC23H35N3O4
  • Average mass417.542 Da
  • Monoisotopic mass417.262756 Da
  • ChemSpider ID62692074

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2S,5S,6S,7S)-N6-Cyclohexyl-3-isopropyl-N2-(2-methyl-2-propanyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2,6-dicarboxamid [German] [ACD/IUPAC Name]
(1R,2S,5S,6S,7S)-N6-Cyclohexyl-3-isopropyl-N2-(2-methyl-2-propanyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
(1R,2S,5S,6S,7S)-N6-Cyclohexyl-3-isopropyl-N2-(2-méthyl-2-propanyl)-4-oxo-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-cyclohexyl-N3-(1,1-dimethylethyl)-1,2,3,6,7,7a-hexahydro-2-(1-methylethyl)-1-oxo-, (3S,3aR,6S,7S,7aS)- [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: 692.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.7±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 113.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 33.56
ACD/KOC (pH 5.5): 430.36
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.56
ACD/KOC (pH 7.4): 430.36
Polar Surface Area: 88 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 346.9±5.0 cm3

Click to predict properties on the Chemicalize site


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