ChemSpider 2D Image | (2Z,5S)-6,6,6-Trichloro-3-methoxy-N,5-dimethyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-2-hexenamide | C20H23Cl3N2O2S

(2Z,5S)-6,6,6-Trichloro-3-methoxy-N,5-dimethyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-2-hexenamide

  • Molecular FormulaC20H23Cl3N2O2S
  • Average mass461.833 Da
  • Monoisotopic mass460.054596 Da
  • ChemSpider ID24717176

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2Z,5S)-6,6,6-Trichlor-3-methoxy-N,5-dimethyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-2-hexenamid [German] [ACD/IUPAC Name]
(2Z,5S)-6,6,6-Trichloro-3-methoxy-N,5-dimethyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-2-hexenamide [ACD/IUPAC Name]
(2Z,5S)-6,6,6-Trichloro-3-méthoxy-N,5-diméthyl-N-[(1S)-2-phényl-1-(1,3-thiazol-2-yl)éthyl]-2-hexénamide [French] [ACD/IUPAC Name]
2-Hexenamide, 6,6,6-trichloro-3-methoxy-N,5-dimethyl-N-[(1S)-2-phenyl-1-(2-thiazolyl)ethyl]-, (2Z,5S)- [ACD/Index Name]
BARBARAMIDE A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL515481/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 614.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 325.6±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 118.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4520.18
ACD/KOC (pH 5.5): 14384.07
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4522.80
ACD/KOC (pH 7.4): 14392.38
Polar Surface Area: 71 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 353.7±3.0 cm3

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