ChemSpider 2D Image | 4-{2-[4-(2-Aminoethoxy)phenyl]ethyl}-2-[4-benzyl-4-(benzylcarbamoyl)-1-piperidinyl]-5-pyrimidinecarboxylic acid | C35H39N5O4

4-{2-[4-(2-Aminoethoxy)phenyl]ethyl}-2-[4-benzyl-4-(benzylcarbamoyl)-1-piperidinyl]-5-pyrimidinecarboxylic acid

  • Molecular FormulaC35H39N5O4
  • Average mass593.715 Da
  • Monoisotopic mass593.300232 Da
  • ChemSpider ID68380988

More details:

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

4-{2-[4-(2-Aminoethoxy)phenyl]ethyl}-2-[4-benzyl-4-(benzylcarbamoyl)-1-piperidinyl]-5-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
4-{2-[4-(2-Aminoethoxy)phenyl]ethyl}-2-[4-benzyl-4-(benzylcarbamoyl)-1-piperidinyl]-5-pyrimidinecarboxylic acid [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-[2-[4-(2-aminoethoxy)phenyl]ethyl]-2-[4-(phenylmethyl)-4-[[(phenylmethyl)amino]carbonyl]-1-piperidinyl]- [ACD/Index Name]
Acide 4-{2-[4-(2-aminoéthoxy)phényl]éthyl}-2-[4-benzyl-4-(benzylcarbamoyl)-1-pipéridinyl]-5-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
4-{2-[4-(2-AMINOETHOXY)PHENYL]ETHYL}-2-[4-BENZYL-4-(BENZYLCARBAMOYL)PIPERIDIN-1-YL]PYRIMIDINE-5-CARBOXYLIC ACID

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 169.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 4.81
ACD/KOC (pH 5.5): 16.50
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 10.28
ACD/KOC (pH 7.4): 35.28
Polar Surface Area: 131 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 475.9±3.0 cm3

Click to predict properties on the Chemicalize site


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