Found 13 results

Search term: MF = 'C_{38}H_{47}N_{3}O_{2}'
ChemSpider 2D Image | TCMDC-135481 | C38H47N3O2

TCMDC-135481

  • Molecular FormulaC38H47N3O2
  • Average mass577.799 Da
  • Monoisotopic mass577.366821 Da
  • ChemSpider ID24575526

More details:

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

[1,1'-Biphenyl]-4-carboxamide, 4'-cyano-N-[4-[4-(5,6,7,8-tetrahydro-1-methoxy-5,5,8,8-tetramethyl-2-naphthalenyl)-1-piperidinyl]butyl]- [ACD/Index Name]
4'-Cyan-N-{4-[4-(1-methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalinyl)-1-piperidinyl]butyl}-4-biphenylcarboxamid [German] [ACD/IUPAC Name]
4'-Cyano-N-{4-[4-(1-méthoxy-5,5,8,8-tétraméthyl-5,6,7,8-tétrahydro-2-naphtalényl)-1-pipéridinyl]butyl}-4-biphénylcarboxamide [French] [ACD/IUPAC Name]
4'-Cyano-N-{4-[4-(1-methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)-1-piperidinyl]butyl}-4-biphenylcarboxamide [ACD/IUPAC Name]
4'-Cyano-N-{4-[4-(1-methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl}biphenyl-4-carboxamide
TCMDC-135481
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.410586154 GlaxoSmithKline Malaria Set

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

Density: 1.1±0.1 g/cm3
Boiling Point: 732.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.6±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 174.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.51
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 449.33
ACD/KOC (pH 5.5): 381.04
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 6066.18
ACD/KOC (pH 7.4): 5144.24
Polar Surface Area: 65 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 505.0±5.0 cm3

Click to predict properties on the Chemicalize site


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