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-methoxyacetamide | C29H45N3O5

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-methoxyacetamide

  • Molecular FormulaC29H45N3O5
  • Average mass515.685 Da
  • Monoisotopic mass515.335938 Da
  • ChemSpider ID21383458

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Acetamide, 2-methoxy-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-methoxyacetamid [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-methoxyacetamide [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-méthoxyacétamide [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: 701.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 378.2±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 143.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.12
ACD/KOC (pH 5.5): 899.58
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.36
ACD/KOC (pH 7.4): 901.92
Polar Surface Area: 91 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 433.6±5.0 cm3

Click to predict properties on the Chemicalize site


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