ChemSpider 2D Image | (2Z,5Z)-3-Benzyl-2-(benzylimino)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-1,3-thiazolidin-4-one | C25H21BrN2O3S

(2Z,5Z)-3-Benzyl-2-(benzylimino)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-1,3-thiazolidin-4-one

  • Molecular FormulaC25H21BrN2O3S
  • Average mass509.415 Da
  • Monoisotopic mass508.045624 Da
  • ChemSpider ID1691307

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,5Z)-3-Benzyl-2-(benzylimino)-5-(3-brom-4-hydroxy-5-methoxybenzyliden)-1,3-thiazolidin-4-on [German] [ACD/IUPAC Name]
(2Z,5Z)-3-Benzyl-2-(benzylimino)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-1,3-thiazolidin-4-one [ACD/IUPAC Name]
(2Z,5Z)-3-Benzyl-2-(benzylimino)-5-(3-bromo-4-hydroxy-5-méthoxybenzylidène)-1,3-thiazolidin-4-one [French] [ACD/IUPAC Name]
4-Thiazolidinone, 5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylene]-3-(phenylmethyl)-2-[(phenylmethyl)imino]-, (2Z,5Z)- [ACD/Index Name]
(2Z,5Z)-3-BENZYL-2-BENZYLIMINO-5-[(3-BROMO-4-HYDROXY-5-METHOXYPHENYL)METHYLIDENE]-1,3-THIAZOLIDIN-4-ONE

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

BIM-0029175.P001 [DBID]
ZINC02931243 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 617.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 326.9±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 132.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3668.16
ACD/KOC (pH 5.5): 12335.25
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 1680.59
ACD/KOC (pH 7.4): 5651.48
Polar Surface Area: 87 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 363.4±7.0 cm3

Click to predict properties on the Chemicalize site


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