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ChemSpider 2D Image | N-Benzyl-2-(4-iodophenyl)-4-(phenylsulfonyl)-1,3-oxazol-5-amine | C22H17IN2O3S

N-Benzyl-2-(4-iodophenyl)-4-(phenylsulfonyl)-1,3-oxazol-5-amine

  • Molecular FormulaC22H17IN2O3S
  • Average mass516.351 Da
  • Monoisotopic mass516.000427 Da
  • ChemSpider ID3685371

More details:

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

5-Oxazolamine, 2-(4-iodophenyl)-N-(phenylmethyl)-4-(phenylsulfonyl)- [ACD/Index Name]
N-Benzyl-2-(4-iodophenyl)-4-(phenylsulfonyl)-1,3-oxazol-5-amine [ACD/IUPAC Name]
N-Benzyl-2-(4-iodophényl)-4-(phénylsulfonyl)-1,3-oxazol-5-amine [French] [ACD/IUPAC Name]
N-Benzyl-2-(4-iodphenyl)-4-(phenylsulfonyl)-1,3-oxazol-5-amin [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 657.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.6±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 121.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3056.97
ACD/KOC (pH 5.5): 10873.42
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3056.97
ACD/KOC (pH 7.4): 10873.42
Polar Surface Area: 81 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 321.3±3.0 cm3

Click to predict properties on the Chemicalize site


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