ChemSpider 2D Image | 4-[(1R,3aS,10aR,10bS)-2-(3-Methoxybenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-morpholinyl)-1-butanone | C27H39N3O4

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

  • Molecular FormulaC27H39N3O4
  • Average mass469.616 Da
  • Monoisotopic mass469.294067 Da
  • ChemSpider ID65152363

  • 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-methoxybenzoyl)-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-Methoxybenzoyl)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-Methoxybenzoyl)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-Méthoxybenzoyl)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-methoxybenzoyl)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, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 664.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 355.4±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 131.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.07
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 1.65
ACD/KOC (pH 7.4): 14.41
Polar Surface Area: 62 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 384.2±5.0 cm3

Click to predict properties on the Chemicalize site


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