ChemSpider 2D Image | 4-[(1R,3aS,10aR,10bS)-2-{[1-(4-Methoxyphenyl)cyclopropyl]carbonyl}decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-morpholinyl)-1-butanone | C30H43N3O4

4-[(1R,3aS,10aR,10bS)-2-{[1-(4-Methoxyphenyl)cyclopropyl]carbonyl}decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-morpholinyl)-1-butanone

  • Molecular FormulaC30H43N3O4
  • Average mass509.680 Da
  • Monoisotopic mass509.325348 Da
  • ChemSpider ID65152386

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Butanone, 4-[(1R,3aS,10aR,10bS)-decahydro-2-[[1-(4-methoxyphenyl)cyclopropyl]carbonyl]-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-morpholinyl)- [ACD/Index Name]
4-[(1R,3aS,10aR,10bS)-2-{[1-(4-Methoxyphenyl)cyclopropyl]carbonyl}decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-morpholinyl)-1-butanon [German] [ACD/IUPAC Name]
4-[(1R,3aS,10aR,10bS)-2-{[1-(4-Methoxyphenyl)cyclopropyl]carbonyl}decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-morpholinyl)-1-butanone [ACD/IUPAC Name]
4-[(1R,3aS,10aR,10bS)-2-{[1-(4-Méthoxyphényl)cyclopropyl]carbonyl}décahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphtyridin-1-yl]-1-(4-morpholinyl)-1-butanone [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: 698.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 375.9±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.59
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 5.31
ACD/KOC (pH 7.4): 32.47
Polar Surface Area: 62 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 414.0±5.0 cm3

Click to predict properties on the Chemicalize site


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