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

[4-({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 ID34954940

  • Double-bond stereo - Double-bond stereo

More details:

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

[4-({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]
[4-({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]
[4-({4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid
Acide [4-({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-[4-[[4-[(5Z)-5-[(3,4-dichlorophenyl)methylene]-4,5-dihydro-4-oxo-2-thiazolyl]-1-piperazinyl]methyl]phenyl]- [ACD/Index Name]
ATX inhibitor 10 analogue 6

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

Density: 1.4±0.1 g/cm3
Boiling Point: 660.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 353.5±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): 3.40
ACD/BCF (pH 5.5): 191.27
ACD/KOC (pH 5.5): 1224.90
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 355.88
ACD/KOC (pH 7.4): 2279.10
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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