ChemSpider 2D Image | 4-{(2e)-3-[4-{[2-(Pyridin-3-Ylmethoxy)phenyl]sulfanyl}-2,3-Bis(Trifluoromethyl)phenyl]prop-2-Enoyl}morpholine | C27H22F6N2O3S

4-{(2e)-3-[4-{[2-(Pyridin-3-Ylmethoxy)phenyl]sulfanyl}-2,3-Bis(Trifluoromethyl)phenyl]prop-2-Enoyl}morpholine

  • Molecular FormulaC27H22F6N2O3S
  • Average mass568.531 Da
  • Monoisotopic mass568.125549 Da
  • ChemSpider ID24703532

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(4-Morpholinyl)-3-[4-{[2-(3-pyridinylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluormethyl)phenyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(4-Morpholinyl)-3-[4-{[2-(3-pyridinylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(4-Morpholinyl)-3-[4-{[2-(3-pyridinylméthoxy)phényl]sulfanyl}-2,3-bis(trifluorométhyl)phényl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(4-morpholinyl)-3-[4-[[2-(3-pyridinylmethoxy)phenyl]thio]-2,3-bis(trifluoromethyl)phenyl]-, (2E)- [ACD/Index Name]
4-{(2e)-3-[4-{[2-(Pyridin-3-Ylmethoxy)phenyl]sulfanyl}-2,3-Bis(Trifluoromethyl)phenyl]prop-2-Enoyl}morpholine
(E)-1-morpholino-3-(4-(2-(pyridin-3-ylmethoxy)phenylthio)-2,3-bis(trifluoromethyl)phenyl)prop-2-en-1-one
BQN
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL487705/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 640.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.1±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 134.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13177.31
ACD/KOC (pH 5.5): 30074.44
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14546.21
ACD/KOC (pH 7.4): 33198.66
Polar Surface Area: 77 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 397.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement