ChemSpider 2D Image | Goxalapladib | C40H39F5N4O3

Goxalapladib

  • Molecular FormulaC40H39F5N4O3
  • Average mass718.755 Da
  • Monoisotopic mass718.294250 Da
  • ChemSpider ID9861033

More details:

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

1,8-Naphthyridine-1(4H)-acetamide, 2-[2-(2,3-difluorophenyl)ethyl]-N-[1-(2-methoxyethyl)-4-piperidinyl]-4-oxo-N-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]- [ACD/Index Name]
2-{2-[2-(2,3-Difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1(4H)-yl}-N-[1-(2-methoxyethyl)-4-piperidinyl]-N-{[4'-(trifluoromethyl)-4-biphenylyl]methyl}acetamide [ACD/IUPAC Name]
2-{2-[2-(2,3-Difluorophényl)éthyl]-4-oxo-1,8-naphtyridin-1(4H)-yl}-N-[1-(2-méthoxyéthyl)-4-pipéridinyl]-N-{[4'-(trifluorométhyl)-4-biphénylyl]méthyl}acétamide [French] [ACD/IUPAC Name]
2-{2-[2-(2,3-Difluorphenyl)ethyl]-4-oxo-1,8-naphthyridin-1(4H)-yl}-N-[1-(2-methoxyethyl)-4-piperidinyl]-N-{[4'-(trifluormethyl)-4-biphenylyl]methyl}acetamid [German] [ACD/IUPAC Name]
412950-27-7 [RN]
GNG9ZD197L
Goxalapladib [USAN]
2-(2-(2,3-difluorophenyl)ethyl)-n-(1-(2-methoxyethyl)-4-piperidinyl)-4-oxo-n-((4'-(TRIFLUOROMETHYL)(1,1'-biphenyl)-4-yl)methyl)-1,8-naphthyridine-1(4h)-acetamide
D04368
Goxalapladib (USAN)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8702 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 772.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 421.1±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 187.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.44
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 704.66
ACD/KOC (pH 5.5): 958.63
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 33170.64
ACD/KOC (pH 7.4): 45125.77
Polar Surface Area: 66 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 532.8±5.0 cm3

Click to predict properties on the Chemicalize site


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