ChemSpider 2D Image | TCMDC-135625 | C38H44N4O3

TCMDC-135625

  • Molecular FormulaC38H44N4O3
  • Average mass604.781 Da
  • Monoisotopic mass604.341370 Da
  • ChemSpider ID24575663

More details:

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

[1,1'-Biphenyl]-4-carboxamide, N-[4-[4-[1-(2-amino-2-oxoethoxy)-5,6,7,8-tetrahydro-4-(2-propen-1-yl)-2-naphthalenyl]-1-piperidinyl]butyl]-4'-cyano- [ACD/Index Name]
N-(4-{4-[4-Allyl-1-(2-amino-2-oxoéthoxy)-5,6,7,8-tétrahydro-2-naphtalényl]-1-pipéridinyl}butyl)-4'-cyano-4-biphénylcarboxamide [French] [ACD/IUPAC Name]
N-(4-{4-[4-Allyl-1-(2-amino-2-oxoethoxy)-5,6,7,8-tetrahydro-2-naphthalenyl]-1-piperidinyl}butyl)-4'-cyano-4-biphenylcarboxamide [ACD/IUPAC Name]
N-(4-{4-[4-Allyl-1-(2-amino-2-oxoethoxy)-5,6,7,8-tetrahydro-2-naphthalinyl]-1-piperidinyl}butyl)-4'-cyan-4-biphenylcarboxamid [German] [ACD/IUPAC Name]
N-(4-{4-[4-Allyl-1-(2-amino-2-oxoethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl}butyl)-4'-cyanobiphenyl-4-carboxamide
TCMDC-135625
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.799385972 GlaxoSmithKline Malaria Set

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

Density: 1.2±0.1 g/cm3
Boiling Point: 844.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.7±3.0 kJ/mol
Flash Point: 464.4±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 177.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 21.46
ACD/KOC (pH 5.5): 43.40
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 312.00
ACD/KOC (pH 7.4): 630.97
Polar Surface Area: 108 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 499.1±5.0 cm3

Click to predict properties on the Chemicalize site


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