ChemSpider 2D Image | (5E)-6-[4-(2-{[(4-Chlorophenyl)sulfonyl][2-(4-morpholinyl)ethyl]amino}ethyl)phenyl]-6-(3-pyridinyl)-5-hexenoic acid | C31H36ClN3O5S

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

  • Molecular FormulaC31H36ClN3O5S
  • Average mass598.153 Da
  • Monoisotopic mass597.206421 Da
  • ChemSpider ID8546779

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-6-[4-(2-{[(4-Chlorophenyl)sulfonyl][2-(4-morpholinyl)ethyl]amino}ethyl)phenyl]-6-(3-pyridinyl)-5-hexenoic acid [ACD/IUPAC Name]
(5E)-6-[4-(2-{[(4-chlorophenyl)sulfonyl][2-(morpholin-4-yl)ethyl]amino}ethyl)phenyl]-6-(pyridin-3-yl)hex-5-enoic acid
(5E)-6-[4-(2-{[(4-Chlorphenyl)sulfonyl][2-(4-morpholinyl)ethyl]amino}ethyl)phenyl]-6-(3-pyridinyl)-5-hexensäure [German] [ACD/IUPAC Name]
5-Hexenoic acid, 6-[4-[2-[[(4-chlorophenyl)sulfonyl][2-(4-morpholinyl)ethyl]amino]ethyl]phenyl]-6-(3-pyridinyl)-, (5E)- [ACD/Index Name]
Acide (5E)-6-[4-(2-{[(4-chlorophényl)sulfonyl][2-(4-morpholinyl)éthyl]amino}éthyl)phényl]-6-(3-pyridinyl)-5-hexénoïque [French] [ACD/IUPAC Name]
(E)-6-(4-{2-[(4-Chloro-benzenesulfonyl)-(2-morpholin-4-yl-ethyl)-amino]-ethyl}-phenyl)-6-pyridin-3-yl-hex-5-enoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL338419/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 786.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 429.2±35.7 °C
Index of Refraction: 1.602
Molar Refractivity: 161.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 122.09
ACD/KOC (pH 5.5): 320.12
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 19.65
ACD/KOC (pH 7.4): 51.51
Polar Surface Area: 108 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 470.0±3.0 cm3

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