ChemSpider 2D Image | 1-[(Z)-[4-({2-[(4-Ethynylphenyl)carbamoyl]-4-methoxyphenyl}carbamoyl)-3-fluorophenyl](imino)methyl]-4-piperidinecarboxylic acid | C30H27FN4O5

1-[(Z)-[4-({2-[(4-Ethynylphenyl)carbamoyl]-4-methoxyphenyl}carbamoyl)-3-fluorophenyl](imino)methyl]-4-piperidinecarboxylic acid

  • Molecular FormulaC30H27FN4O5
  • Average mass542.558 Da
  • Monoisotopic mass542.196533 Da
  • ChemSpider ID8384658

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[(Z)-[4-({2-[(4-Ethinylphenyl)carbamoyl]-4-methoxyphenyl}carbamoyl)-3-fluorphenyl](imino)methyl]-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-[(Z)-[4-({2-[(4-Ethynylphenyl)carbamoyl]-4-methoxyphenyl}carbamoyl)-3-fluorophenyl](imino)methyl]-4-piperidinecarboxylic acid [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[(Z)-[4-[[[2-[[(4-ethynylphenyl)amino]carbonyl]-4-methoxyphenyl]amino]carbonyl]-3-fluorophenyl]iminomethyl]- [ACD/Index Name]
Acide 1-[(Z)-[4-({2-[(4-éthynylphényl)carbamoyl]-4-méthoxyphényl}carbamoyl)-3-fluorophényl](imino)méthyl]-4-pipéridinecarboxylique [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 146.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.34
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.91
Polar Surface Area: 132 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 414.4±7.0 cm3

Click to predict properties on the Chemicalize site


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