ChemSpider 2D Image | N-[(1S,3aS,5S,7aR)-5-Hydroxy-7a-{3-[4-(2-methoxyphenyl)-1-piperazinyl]-3-oxopropyl}-3,3,5-trimethyloctahydro-1H-inden-1-yl]-2-furamide | C31H43N3O5

N-[(1S,3aS,5S,7aR)-5-Hydroxy-7a-{3-[4-(2-methoxyphenyl)-1-piperazinyl]-3-oxopropyl}-3,3,5-trimethyloctahydro-1H-inden-1-yl]-2-furamide

  • Molecular FormulaC31H43N3O5
  • Average mass537.690 Da
  • Monoisotopic mass537.320251 Da
  • ChemSpider ID21383454

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Furancarboxamide, N-[(1S,3aS,5S,7aR)-octahydro-5-hydroxy-7a-[3-[4-(2-methoxyphenyl)-1-piperazinyl]-3-oxopropyl]-3,3,5-trimethyl-1H-inden-1-yl]- [ACD/Index Name]
N-[(1S,3aS,5S,7aR)-5-Hydroxy-7a-{3-[4-(2-methoxyphenyl)-1-piperazinyl]-3-oxopropyl}-3,3,5-trimethyloctahydro-1H-inden-1-yl]-2-furamid [German] [ACD/IUPAC Name]
N-[(1S,3aS,5S,7aR)-5-Hydroxy-7a-{3-[4-(2-methoxyphenyl)-1-piperazinyl]-3-oxopropyl}-3,3,5-trimethyloctahydro-1H-inden-1-yl]-2-furamide [ACD/IUPAC Name]
N-[(1S,3aS,5S,7aR)-5-Hydroxy-7a-{3-[4-(2-méthoxyphényl)-1-pipérazinyl]-3-oxopropyl}-3,3,5-triméthyloctahydro-1H-indén-1-yl]-2-furamide [French] [ACD/IUPAC 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: 733.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 397.2±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 150.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 336.85
ACD/KOC (pH 5.5): 2240.86
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 337.72
ACD/KOC (pH 7.4): 2246.69
Polar Surface Area: 95 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 436.3±5.0 cm3

Click to predict properties on the Chemicalize site


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