ChemSpider 2D Image | Methyl (2E)-3-{4-[(Z)-({[(7-chloro-4-quinolinyl)sulfanyl]acetyl}hydrazono)methyl]-3,5-difluorophenyl}acrylate | C22H16ClF2N3O3S

Methyl (2E)-3-{4-[(Z)-({[(7-chloro-4-quinolinyl)sulfanyl]acetyl}hydrazono)methyl]-3,5-difluorophenyl}acrylate

  • Molecular FormulaC22H16ClF2N3O3S
  • Average mass475.896 Da
  • Monoisotopic mass475.056885 Da
  • ChemSpider ID82898022

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{4-[(Z)-({2-[(7-Chloro-4-quinoléinyl)sulfanyl]acétyl}hydrazono)méthyl]-3,5-difluorophényl}acrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-[(Z)-[2-[2-[(7-chloro-4-quinolinyl)thio]acetyl]hydrazinylidene]methyl]-3,5-difluorophenyl]-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-3-{4-[(Z)-({[(7-chloro-4-quinolinyl)sulfanyl]acetyl}hydrazono)methyl]-3,5-difluorophenyl}acrylate [ACD/IUPAC Name]
Methyl-(2E)-3-{4-[(Z)-({[(7-chlor-4-chinolinyl)sulfanyl]acetyl}hydrazono)methyl]-3,5-difluorphenyl}acrylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 120.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3056.15
ACD/KOC (pH 5.5): 10864.56
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3061.42
ACD/KOC (pH 7.4): 10883.29
Polar Surface Area: 106 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 344.8±7.0 cm3

Click to predict properties on the Chemicalize site


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