Found 164 results

Search term: MF = 'C_{35}H_{40}N_{4}O'
ChemSpider 2D Image | (4-{2-[(3-endo)-3-(2-Methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenyl-1-piperidinyl)(phenyl)methanone | C35H40N4O

(4-{2-[(3-endo)-3-(2-Methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenyl-1-piperidinyl)(phenyl)methanone

  • Molecular FormulaC35H40N4O
  • Average mass532.718 Da
  • Monoisotopic mass532.320190 Da
  • ChemSpider ID26334290

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4-{2-[(3-endo)-3-(2-Methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenyl-1-piperidinyl)(phenyl)methanon [German] [ACD/IUPAC Name]
(4-{2-[(3-endo)-3-(2-Methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenyl-1-piperidinyl)(phenyl)methanone [ACD/IUPAC Name]
(4-{2-[(3-endo)-3-(2-Méthyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]éthyl}-4-phényl-1-pipéridinyl)(phényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[2-[(3-endo)-3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl]-4-phenyl-1-piperidinyl]phenyl- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1784384/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 716.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.3±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 162.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 2.75
ACD/KOC (pH 5.5): 7.24
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 11.32
ACD/KOC (pH 7.4): 29.81
Polar Surface Area: 41 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 434.4±7.0 cm3

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