ChemSpider 2D Image | Ethyl N-benzyl-N-[6-(1-cyclohexyl-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)-2-(4-fluorophenyl)-4-pyrimidinyl]glycinate | C38H40FN5O2

Ethyl N-benzyl-N-[6-(1-cyclohexyl-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-2-(4-fluorophenyl)-4-pyrimidinyl]glycinate

  • Molecular FormulaC38H40FN5O2
  • Average mass617.755 Da
  • Monoisotopic mass617.316589 Da
  • ChemSpider ID121963224

More details:

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

Ethyl N-benzyl-N-[6-(1-cyclohexyl-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-2-(4-fluorophenyl)-4-pyrimidinyl]glycinate [ACD/IUPAC Name]
Ethyl-N-benzyl-N-[6-(1-cyclohexyl-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-2-(4-fluorphenyl)-4-pyrimidinyl]glycinat [German] [ACD/IUPAC Name]
Glycine, N-[6-(1-cyclohexyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2-(4-fluorophenyl)-4-pyrimidinyl]-N-(phenylmethyl)-, ethyl ester [ACD/Index Name]
N-Benzyl-N-[6-(1-cyclohexyl-1,3,4,9-tétrahydro-2H-β-carbolin-2-yl)-2-(4-fluorophényl)-4-pyrimidinyl]glycinate d'éthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 743.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 403.3±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 179.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.95
ACD/LogD (pH 5.5): 7.93
ACD/BCF (pH 5.5): 484911.78
ACD/KOC (pH 5.5): 305244.09
ACD/LogD (pH 7.4): 8.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 833257.50
Polar Surface Area: 74 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 491.7±3.0 cm3

Click to predict properties on the Chemicalize site


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