ChemSpider 2D Image | (2E)-2-{4-[({4-[4-(1H-1,2,3-Triazol-1-yl)butyl]phenyl}sulfonyl)methyl]-1,3-oxazol-2(3H)-ylidene}-5-(trifluoromethoxy)-2H-indole | C25H22F3N5O4S

(2E)-2-{4-[({4-[4-(1H-1,2,3-Triazol-1-yl)butyl]phenyl}sulfonyl)methyl]-1,3-oxazol-2(3H)-ylidene}-5-(trifluoromethoxy)-2H-indole

  • Molecular FormulaC25H22F3N5O4S
  • Average mass545.534 Da
  • Monoisotopic mass545.134460 Da
  • ChemSpider ID9679680

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-{4-[({4-[4-(1H-1,2,3-Triazol-1-yl)butyl]phenyl}sulfonyl)methyl]-1,3-oxazol-2(3H)-yliden}-5-(trifluormethoxy)-2H-indol [German] [ACD/IUPAC Name]
(2E)-2-{4-[({4-[4-(1H-1,2,3-Triazol-1-yl)butyl]phenyl}sulfonyl)methyl]-1,3-oxazol-2(3H)-ylidene}-5-(trifluoromethoxy)-2H-indole [ACD/IUPAC Name]
(2E)-2-{4-[({4-[4-(1H-1,2,3-Triazol-1-yl)butyl]phényl}sulfonyl)méthyl]-1,3-oxazol-2(3H)-ylidène}-5-(trifluorométhoxy)-2H-indole [French] [ACD/IUPAC Name]
2H-Indole, 2-[4-[[[4-[4-(1H-1,2,3-triazol-1-yl)butyl]phenyl]sulfonyl]methyl]-2(3H)-oxazolylidene]-5-(trifluoromethoxy)-, (2E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 725.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.4±35.7 °C
Index of Refraction: 1.646
Molar Refractivity: 133.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.37
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.30
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.23
Polar Surface Area: 116 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 368.8±7.0 cm3

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