Found 18 results

Search term: MF = 'C_{26}H_{26}F_{3}NO_{3}S'
ChemSpider 2D Image | (1R,3aR,4aS,8aS,9S,9aS)-1-Methyl-9-[(E)-2-{5-[3-(trifluoromethyl)phenyl]-2-pyridinyl}vinyl]decahydro-3H-isothiochromeno[6,7-c]furan-3-one 6-oxide | C26H26F3NO3S

(1R,3aR,4aS,8aS,9S,9aS)-1-Methyl-9-[(E)-2-{5-[3-(trifluoromethyl)phenyl]-2-pyridinyl}vinyl]decahydro-3H-isothiochromeno[6,7-c]furan-3-one 6-oxide

  • Molecular FormulaC26H26F3NO3S
  • Average mass489.550 Da
  • Monoisotopic mass489.158539 Da
  • ChemSpider ID23289536

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1R,3aR,4aS,8aS,9S,9aS) 6-Oxyde de 1-méthyl-9-[(E)-2-{5-[3-(trifluorométhyl)phényl]-2-pyridinyl}vinyl]décahydro-3H-isothiochroméno[6,7-c]furan-3-one [French] [ACD/IUPAC Name]
(1R,3aR,4aS,8aS,9S,9aS)-1-Methyl-9-[(E)-2-{5-[3-(trifluormethyl)phenyl]-2-pyridinyl}vinyl]decahydro-3H-isothiochromeno[6,7-c]furan-3-on-6-oxid [German] [ACD/IUPAC Name]
(1R,3aR,4aS,8aS,9S,9aS)-1-Methyl-9-[(E)-2-{5-[3-(trifluoromethyl)phenyl]-2-pyridinyl}vinyl]decahydro-3H-isothiochromeno[6,7-c]furan-3-one 6-oxide [ACD/IUPAC Name]
(1R,3aR,4aS,8aS,9S,9aS)-1-methyl-9-[(E)-2-{5-[3-(trifluoromethyl)phenyl]pyridin-2-yl}ethenyl]decahydro-3H-isothiochromeno[6,7-c]furan-3-one 6-oxide
3H-Thiopyrano[3,4-f]isobenzofuran-3-one, decahydro-1-methyl-9-[(E)-2-[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-, 6-oxide, (1R,3aR,4aS,8aS,9S,9aS)- [ACD/Index Name]
(1R,3aR,4aS,-8aS,9S,9aS)-decahydro-1-methyl-9-[(1E)-2-[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3H-thiopyrano[3,4-f]isobenzofuran-3-one-6-oxide
CHEMBL244483

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

Density: 1.4±0.1 g/cm3
Boiling Point: 686.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.1±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 123.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 423.83
ACD/KOC (pH 5.5): 2625.71
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 433.79
ACD/KOC (pH 7.4): 2687.39
Polar Surface Area: 75 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 355.2±5.0 cm3

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