ChemSpider 2D Image | 4-{(1R,3aS,10aR,10bS)-2-[3-(4-Methoxyphenyl)propanoyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-(4-morpholinyl)-1-butanone | C29H43N3O4

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

  • Molecular FormulaC29H43N3O4
  • Average mass497.669 Da
  • Monoisotopic mass497.325348 Da
  • ChemSpider ID65152365

  • 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-[3-(4-methoxyphenyl)-1-oxopropyl]-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-morpholinyl)- [ACD/Index Name]
4-{(1R,3aS,10aR,10bS)-2-[3-(4-Methoxyphenyl)propanoyl]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-[3-(4-Methoxyphenyl)propanoyl]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-[3-(4-Méthoxyphényl)propanoyl]décahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphtyridin-1-yl}-1-(4-morpholinyl)-1-butanone [French] [ACD/IUPAC Name]
4-{(1R,3aS,10aS,10bS)-2-[3-(4-methoxyphenyl)propanoyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-morpholino-1-butanone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 694.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 373.8±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 140.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.87
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 6.16
ACD/KOC (pH 7.4): 36.24
Polar Surface Area: 62 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 416.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement