ChemSpider 2D Image | [3-({4-[(5Z)-5-(3,4-Dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]-1-piperazinyl}methyl)phenyl]boronic acid | C21H20BCl2N3O3S

[3-({4-[(5Z)-5-(3,4-Dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]-1-piperazinyl}methyl)phenyl]boronic acid

  • Molecular FormulaC21H20BCl2N3O3S
  • Average mass476.184 Da
  • Monoisotopic mass475.069550 Da
  • ChemSpider ID34954939

  • Double-bond stereo - Double-bond stereo

More details:

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

[3-({4-[(5Z)-5-(3,4-Dichlorbenzyliden)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]-1-piperazinyl}methyl)phenyl]borsäure [German] [ACD/IUPAC Name]
[3-({4-[(5Z)-5-(3,4-Dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]-1-piperazinyl}methyl)phenyl]boronic acid [ACD/IUPAC Name]
[3-({4-[(5z)-5-(3,4-Dichlorobenzylidene)-4-Oxo-4,5-Dihydro-1,3-Thiazol-2-Yl]piperazin-1-Yl}methyl)phenyl]boronic Acid
Acide [3-({4-[(5Z)-5-(3,4-dichlorobenzylidène)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]-1-pipérazinyl}méthyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-[[4-[(5Z)-5-[(3,4-dichlorophenyl)methylene]-4,5-dihydro-4-oxo-2-thiazolyl]-1-piperazinyl]methyl]phenyl]- [ACD/Index Name]
US8551988, 65

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

Density: 1.4±0.1 g/cm3
Boiling Point: 670.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 359.2±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 124.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 213.13
ACD/KOC (pH 5.5): 1364.91
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 344.52
ACD/KOC (pH 7.4): 2206.35
Polar Surface Area: 102 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 332.6±7.0 cm3

Click to predict properties on the Chemicalize site


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