Found 25 results

Search term: MF = 'C_{21}H_{17}Cl_{3}N_{4}OS'
ChemSpider 2D Image | (2E)-3-Phenyl-N-{2,2,2-trichloro-1-[(3-quinolinylcarbamothioyl)amino]ethyl}acrylamide | C21H17Cl3N4OS

(2E)-3-Phenyl-N-{2,2,2-trichloro-1-[(3-quinolinylcarbamothioyl)amino]ethyl}acrylamide

  • Molecular FormulaC21H17Cl3N4OS
  • Average mass479.810 Da
  • Monoisotopic mass478.018860 Da
  • ChemSpider ID23246539

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-Phényl-N-{2,2,2-trichloro-1-[(3-quinoléinylcarbamothioyl)amino]éthyl}acrylamide [French] [ACD/IUPAC Name]
(2E)-3-Phenyl-N-{2,2,2-trichloro-1-[(3-quinolinylcarbamothioyl)amino]ethyl}acrylamide [ACD/IUPAC Name]
(2E)-3-phenyl-N-{2,2,2-trichloro-1-[(quinolin-3-ylcarbamothioyl)amino]ethyl}prop-2-enamide
(2E)-N-{1-[(3-Chinolinylcarbamothioyl)amino]-2,2,2-trichlorethyl}-3-phenylacrylamid [German] [ACD/IUPAC Name]
2-Propenamide, 3-phenyl-N-[2,2,2-trichloro-1-[[(3-quinolinylamino)thioxomethyl]amino]ethyl]-, (2E)- [ACD/Index Name]
(E)-3-Phenyl-N-[2,2,2-trichloro-1-(3-quinolin-3-yl-thioureido)-ethyl]-acrylamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL360305/

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: 1.732
Molar Refractivity: 130.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2780.70
ACD/KOC (pH 5.5): 10101.22
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2830.19
ACD/KOC (pH 7.4): 10281.00
Polar Surface Area: 98 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 325.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement