ChemSpider 2D Image | Methyl 1-[(Z)-[4-({2-[(4-ethynylphenyl)carbamoyl]-4-methoxyphenyl}carbamoyl)-3-fluorophenyl](imino)methyl]-4-piperidinecarboxylate | C31H29FN4O5

Methyl 1-[(Z)-[4-({2-[(4-ethynylphenyl)carbamoyl]-4-methoxyphenyl}carbamoyl)-3-fluorophenyl](imino)methyl]-4-piperidinecarboxylate

  • Molecular FormulaC31H29FN4O5
  • Average mass556.584 Da
  • Monoisotopic mass556.212219 Da
  • ChemSpider ID8406677

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[(Z)-[4-({2-[(4-Éthynylphényl)carbamoyl]-4-méthoxyphényl}carbamoyl)-3-fluorophényl](imino)méthyl]-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[(Z)-[4-[[[2-[[(4-ethynylphenyl)amino]carbonyl]-4-methoxyphenyl]amino]carbonyl]-3-fluorophenyl]iminomethyl]-, methyl ester [ACD/Index Name]
Methyl 1-[(Z)-[4-({2-[(4-ethynylphenyl)carbamoyl]-4-methoxyphenyl}carbamoyl)-3-fluorophenyl](imino)methyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-1-[(Z)-[4-({2-[(4-ethinylphenyl)carbamoyl]-4-methoxyphenyl}carbamoyl)-3-fluorphenyl](imino)methyl]-4-piperidincarboxylat [German] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.609
Molar Refractivity: 151.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 2.05
ACD/KOC (pH 5.5): 15.69
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 2.20
ACD/KOC (pH 7.4): 16.92
Polar Surface Area: 121 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 438.8±7.0 cm3

Click to predict properties on the Chemicalize site


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