ChemSpider 2D Image | (2Z)-2-{[5-(4-Chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(1-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-1H-indol-3-yl)acrylic acid | C27H19ClFN5O3S

(2Z)-2-{[5-(4-Chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(1-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-1H-indol-3-yl)acrylic acid

  • Molecular FormulaC27H19ClFN5O3S
  • Average mass547.988 Da
  • Monoisotopic mass547.088135 Da
  • ChemSpider ID68310702

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-{[5-(4-Chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(1-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-1H-indol-3-yl)acrylic acid [ACD/IUPAC Name]
(2Z)-2-{[5-(4-Chlorphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(1-{2-[(4-fluorphenyl)amino]-2-oxoethyl}-1H-indol-3-yl)acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 2-[[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-3-[1-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-1H-indol-3-yl]-, (2Z)- [ACD/Index Name]
Acide (2Z)-2-{[5-(4-chlorophényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(1-{2-[(4-fluorophényl)amino]-2-oxoéthyl}-1H-indol-3-yl)acrylique [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.709
Molar Refractivity: 145.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.48
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 7.78
ACD/KOC (pH 5.5): 21.32
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 3.45
Polar Surface Area: 138 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 372.2±7.0 cm3

Click to predict properties on the Chemicalize site


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