ChemSpider 2D Image | (4-{(2R)-2-(4-Bromo-2-thienyl)-3-[(5-chloro-2-thienyl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetic acid | C21H13BrClNO5S2

(4-{(2R)-2-(4-Bromo-2-thienyl)-3-[(5-chloro-2-thienyl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetic acid

  • Molecular FormulaC21H13BrClNO5S2
  • Average mass538.819 Da
  • Monoisotopic mass536.910706 Da
  • ChemSpider ID35033594

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4-{(2R)-2-(4-Brom-2-thienyl)-3-[(5-chlor-2-thienyl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)essigsäure [German] [ACD/IUPAC Name]
(4-{(2R)-2-(4-Bromo-2-thienyl)-3-[(5-chloro-2-thienyl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetic acid [ACD/IUPAC Name]
(4-{(2r)-2-(4-Bromothiophen-2-Yl)-3-[(5-Chlorothiophen-2-Yl)carbonyl]-4-Hydroxy-5-Oxo-2,5-Dihydro-1h-Pyrrol-1-Yl}phenyl)acetic Acid
Acide (4-{(2R)-2-(4-bromo-2-thiényl)-3-[(5-chloro-2-thiényl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[(2R)-2-(4-bromo-2-thienyl)-3-[(5-chloro-2-thienyl)carbonyl]-2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrol-1-yl]- [ACD/Index Name]
1D5

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

Density: 1.8±0.1 g/cm3
Boiling Point: 695.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.3±31.5 °C
Index of Refraction: 1.743
Molar Refractivity: 122.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 5.24
ACD/KOC (pH 5.5): 26.89
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 82.8±3.0 dyne/cm
Molar Volume: 302.5±3.0 cm3

Click to predict properties on the Chemicalize site


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