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]nicotinamide | C32H44N4O4

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

  • Molecular FormulaC32H44N4O4
  • Average mass548.716 Da
  • Monoisotopic mass548.336243 Da
  • ChemSpider ID21383460

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-Pyridinecarboxamide, 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]nicotinamid [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]nicotinamide [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]nicotinamide [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: 760.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 413.8±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 155.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 407.18
ACD/KOC (pH 5.5): 2560.90
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 411.42
ACD/KOC (pH 7.4): 2587.58
Polar Surface Area: 95 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 446.6±5.0 cm3

Click to predict properties on the Chemicalize site


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