ChemSpider 2D Image | N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-oxo-1-[(2-pyridinylmethyl)amino]-2-propanyl}decahydro-2-naphthalenyl]-2-pyridinecarboxamide | C27H36N4O3

N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-oxo-1-[(2-pyridinylmethyl)amino]-2-propanyl}decahydro-2-naphthalenyl]-2-pyridinecarboxamide

  • Molecular FormulaC27H36N4O3
  • Average mass464.600 Da
  • Monoisotopic mass464.278748 Da
  • ChemSpider ID22806081

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

2-Pyridinecarboxamide, N-[(1S,2S,8S,8aS)-decahydro-8-hydroxy-1,4a-dimethyl-7-[(1S)-1-methyl-2-oxo-2-[(2-pyridinylmethyl)amino]ethyl]-2-naphthalenyl]- [ACD/Index Name]
N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-diméthyl-7-{(2S)-1-oxo-1-[(2-pyridinylméthyl)amino]-2-propanyl}décahydro-2-naphtalényl]-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-oxo-1-[(2-pyridinylmethyl)amino]-2-propanyl}decahydro-2-naphthalenyl]-2-pyridinecarboxamide [ACD/IUPAC Name]
N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-oxo-1-[(2-pyridinylmethyl)amino]-2-propanyl}decahydro-2-naphthalinyl]-2-pyridincarboxamid [German] [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: 731.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 396.1±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 130.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.46
ACD/KOC (pH 5.5): 367.26
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 28.93
ACD/KOC (pH 7.4): 386.90
Polar Surface Area: 104 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 385.0±5.0 cm3

Click to predict properties on the Chemicalize site


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