Found 46 results

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

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

  • Molecular FormulaC29H35F2N3O2
  • Average mass495.604 Da
  • Monoisotopic mass495.269745 Da
  • ChemSpider ID65152490

  • 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-(2,5-difluorobenzoyl)decahydro-N-(phenylmethyl)-, (1R,3aS,10aR,10bS)- [ACD/Index Name]
N-Benzyl-4-[(1R,3aS,10aR,10bS)-2-(2,5-difluorbenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamid [German] [ACD/IUPAC Name]
N-Benzyl-4-[(1R,3aS,10aR,10bS)-2-(2,5-difluorobenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide [ACD/IUPAC Name]
N-Benzyl-4-[(1R,3aS,10aR,10bS)-2-(2,5-difluorobenzoyl)décahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphtyridin-1-yl]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: 686.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.8±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: 3.27
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.05
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 8.06
ACD/KOC (pH 7.4): 47.01
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

Click to predict properties on the Chemicalize site


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