Found 46 results

Search term: MF = 'C_{29}H_{35}F_{2}N_{3}O_{2}'
ChemSpider 2D Image | 4-[(1R,3aS,10aR,10bS)-2-Benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(3,5-difluorobenzyl)butanamide | C29H35F2N3O2

4-[(1R,3aS,10aR,10bS)-2-Benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(3,5-difluorobenzyl)butanamide

  • Molecular FormulaC29H35F2N3O2
  • Average mass495.604 Da
  • Monoisotopic mass495.269745 Da
  • ChemSpider ID65153009

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H,4H-Pyrido[3,2,1-ij][1,6]naphthyridine-1-butanamide, 2-benzoyl-N-[(3,5-difluorophenyl)methyl]decahydro-, (1R,3aS,10aR,10bS)- [ACD/Index Name]
4-[(1R,3aS,10aR,10bS)-2-Benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(3,5-difluorbenzyl)butanamid [German] [ACD/IUPAC Name]
4-[(1R,3aS,10aR,10bS)-2-Benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(3,5-difluorobenzyl)butanamide [ACD/IUPAC Name]
4-[(1R,3aS,10aR,10bS)-2-Benzoyldécahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphtyridin-1-yl]-N-(3,5-difluorobenzyl)butanamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 665.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.4±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 135.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.98
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 6.64
ACD/KOC (pH 7.4): 38.50
Polar Surface Area: 53 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 395.5±5.0 cm3

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