Found 3 results

Search term: DECNIQMRYLPZIB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2E)-3-[(3-Fluorophenyl)amino]-2-[4-(4-isobutylphenyl)-1,3-thiazol-2-yl]acrylonitrile | C22H20FN3S

(2E)-3-[(3-Fluorophenyl)amino]-2-[4-(4-isobutylphenyl)-1,3-thiazol-2-yl]acrylonitrile

  • Molecular FormulaC22H20FN3S
  • Average mass377.478 Da
  • Monoisotopic mass377.136200 Da
  • ChemSpider ID24596882

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[(3-Fluorophenyl)amino]-2-[4-(4-isobutylphenyl)-1,3-thiazol-2-yl]acrylonitrile [ACD/IUPAC Name]
(2E)-3-[(3-Fluorophényl)amino]-2-[4-(4-isobutylphényl)-1,3-thiazol-2-yl]acrylonitrile [French] [ACD/IUPAC Name]
(2E)-3-[(3-Fluorphenyl)amino]-2-[4-(4-isobutylphenyl)-1,3-thiazol-2-yl]acrylonitril [German] [ACD/IUPAC Name]
2-Thiazoleacetonitrile, α-[[(3-fluorophenyl)amino]methylene]-4-[4-(2-methylpropyl)phenyl]-, (αE)- [ACD/Index Name]
(2E)-3-[(3-fluorophenyl)amino]-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}prop-2-enenitrile
3-(3-Fluoro-phenylamino)-2-[4-(4-isobutyl-phenyl)-thiazol-2-yl]-acrylonitrile

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

Density: 1.2±0.1 g/cm3
Boiling Point: 518.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.4±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 109.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10553.17
ACD/KOC (pH 5.5): 26394.97
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 10553.64
ACD/KOC (pH 7.4): 26396.13
Polar Surface Area: 77 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 309.4±3.0 cm3

Click to predict properties on the Chemicalize site


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