Found 3 results

Search term: ZKYSLBZHJUCERJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2Z)-3-[4-(Benzyloxy)-3-methoxyphenyl]-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acrylonitrile | C28H24N2O2S

(2Z)-3-[4-(Benzyloxy)-3-methoxyphenyl]-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acrylonitrile

  • Molecular FormulaC28H24N2O2S
  • Average mass452.567 Da
  • Monoisotopic mass452.155853 Da
  • ChemSpider ID24597060

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-[4-(Benzyloxy)-3-methoxyphenyl]-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acrylonitril [German] [ACD/IUPAC Name]
(2Z)-3-[4-(Benzyloxy)-3-methoxyphenyl]-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acrylonitrile [ACD/IUPAC Name]
(2Z)-3-[4-(Benzyloxy)-3-méthoxyphényl]-2-[4-(3,4-diméthylphényl)-1,3-thiazol-2-yl]acrylonitrile [French] [ACD/IUPAC Name]
2-Thiazoleacetonitrile, 4-(3,4-dimethylphenyl)-α-[[3-methoxy-4-(phenylmethoxy)phenyl]methylene]-, (αZ)- [ACD/Index Name]
(2Z)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-(4-Benzyloxy-3-methoxy-phenyl)-2-[4-(3,4-dimethyl-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: 644.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.3±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 135.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.86
ACD/LogD (pH 5.5): 6.71
ACD/BCF (pH 5.5): 74459.01
ACD/KOC (pH 5.5): 106879.38
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 74461.87
ACD/KOC (pH 7.4): 106883.49
Polar Surface Area: 83 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 375.1±3.0 cm3

Click to predict properties on the Chemicalize site


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