ChemSpider 2D Image | 1-[(Z)-[4-({4-Chloro-2-[(4-ethynylphenyl)carbamoyl]phenyl}carbamoyl)-3-fluorophenyl](imino)methyl]-4-piperidinecarboxylic acid | C29H24ClFN4O4

1-[(Z)-[4-({4-Chloro-2-[(4-ethynylphenyl)carbamoyl]phenyl}carbamoyl)-3-fluorophenyl](imino)methyl]-4-piperidinecarboxylic acid

  • Molecular FormulaC29H24ClFN4O4
  • Average mass546.977 Da
  • Monoisotopic mass546.147034 Da
  • ChemSpider ID8319348

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[(Z)-[4-({4-Chlor-2-[(4-ethinylphenyl)carbamoyl]phenyl}carbamoyl)-3-fluorphenyl](imino)methyl]-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-[(Z)-[4-({4-Chloro-2-[(4-ethynylphenyl)carbamoyl]phenyl}carbamoyl)-3-fluorophenyl](imino)methyl]-4-piperidinecarboxylic acid [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[(Z)-[4-[[[4-chloro-2-[[(4-ethynylphenyl)amino]carbonyl]phenyl]amino]carbonyl]-3-fluorophenyl]iminomethyl]- [ACD/Index Name]
Acide 1-[(Z)-[4-({4-chloro-2-[(4-éthynylphényl)carbamoyl]phényl}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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 145.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 7.69
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.70
Polar Surface Area: 123 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 402.1±7.0 cm3

Click to predict properties on the Chemicalize site


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