Found 289 results

Search term: MF = 'C_{36}H_{42}N_{4}O_{2}'
ChemSpider 2D Image | (4-{2-[3-(2-Methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenyl-1-piperidinyl)(phenyl)acetic acid | C36H42N4O2

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

  • Molecular FormulaC36H42N4O2
  • Average mass562.744 Da
  • Monoisotopic mass562.330750 Da
  • ChemSpider ID24685721

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(4-{2-[3-(2-Methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenyl-1-piperidinyl)(phenyl)acetic acid [ACD/IUPAC Name]
(4-{2-[3-(2-Methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenyl-1-piperidinyl)(phenyl)essigsäure [German] [ACD/IUPAC Name]
1-Piperidineacetic acid, 4-[2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl]-α,4-diphenyl- [ACD/Index Name]
Acide (4-{2-[3-(2-méthyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]éthyl}-4-phényl-1-pipéridinyl)(phényl)acétique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL443936/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 724.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 391.9±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 167.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 3.30
ACD/KOC (pH 5.5): 6.35
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 13.35
ACD/KOC (pH 7.4): 25.72
Polar Surface Area: 62 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 447.7±7.0 cm3

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