ChemSpider 2D Image | N~2~-[4-(4-Phenyl-2-thienyl)benzoyl]-L-alpha-glutamine | C22H20N2O4S

N2-[4-(4-Phenyl-2-thienyl)benzoyl]-L-α-glutamine

  • Molecular FormulaC22H20N2O4S
  • Average mass408.470 Da
  • Monoisotopic mass408.114380 Da
  • ChemSpider ID34949376

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N2-[4-(4-Phenyl-2-thienyl)benzoyl]-L-α-glutamin [German] [ACD/IUPAC Name]
N2-[4-(4-Phenyl-2-thienyl)benzoyl]-L-α-glutamine [ACD/IUPAC Name]
N2-[4-(4-Phényl-2-thiényl)benzoyl]-L-α-glutamine [French] [ACD/IUPAC Name]
N2-[4-(4-Phenylthiophen-2-Yl)benzoyl]-L-α-Glutamine
E37
Inhibitor, 16

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 705.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 380.4±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 111.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 16.18
ACD/KOC (pH 5.5): 123.57
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.96
Polar Surface Area: 138 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 311.7±3.0 cm3

Click to predict properties on the Chemicalize site


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