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Search term: POPJWIHAKVJLHO-KTZMUZOWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (5E)-6-[3-(2-{[(4-Fluorophenyl)sulfonyl]amino}ethyl)phenyl]-6-(3-pyridinyl)-5-hexenoic acid | C25H25FN2O4S

(5E)-6-[3-(2-{[(4-Fluorophenyl)sulfonyl]amino}ethyl)phenyl]-6-(3-pyridinyl)-5-hexenoic acid

  • Molecular FormulaC25H25FN2O4S
  • Average mass468.540 Da
  • Monoisotopic mass468.151917 Da
  • ChemSpider ID23231687

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-6-[3-(2-{[(4-Fluorophenyl)sulfonyl]amino}ethyl)phenyl]-6-(3-pyridinyl)-5-hexenoic acid [ACD/IUPAC Name]
(5E)-6-[3-(2-{[(4-fluorophenyl)sulfonyl]amino}ethyl)phenyl]-6-(pyridin-3-yl)hex-5-enoic acid
(5E)-6-[3-(2-{[(4-Fluorphenyl)sulfonyl]amino}ethyl)phenyl]-6-(3-pyridinyl)-5-hexensäure [German] [ACD/IUPAC Name]
5-Hexenoic acid, 6-[3-[2-[[(4-fluorophenyl)sulfonyl]amino]ethyl]phenyl]-6-(3-pyridinyl)-, (5E)- [ACD/Index Name]
Acide (5E)-6-[3-(2-{[(4-fluorophényl)sulfonyl]amino}éthyl)phényl]-6-(3-pyridinyl)-5-hexénoïque [French] [ACD/IUPAC Name]
6-{3-[2-(4-Fluoro-benzenesulfonylamino)-ethyl]-phenyl}-6-pyridin-3-yl-hex-5-enoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL351657/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 683.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 367.0±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 124.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 97.59
ACD/KOC (pH 5.5): 468.88
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 2.23
ACD/KOC (pH 7.4): 10.72
Polar Surface Area: 105 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 366.2±3.0 cm3

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