ChemSpider 2D Image | 6-(4-{[3-(2,6-Dichlorophenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid | C28H21Cl2NO4S

6-(4-{[3-(2,6-Dichlorophenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid

  • Molecular FormulaC28H21Cl2NO4S
  • Average mass538.442 Da
  • Monoisotopic mass537.056824 Da
  • ChemSpider ID26325855

More details:

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

6-(4-{[3-(2,6-Dichlorophenyl)-5-(Propan-2-Yl)-1,2-Oxazol-4-Yl]methoxy}phenyl)-1-Benzothiophene-3-Carboxylic Acid
6-(4-{[3-(2,6-Dichlorophenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid [ACD/IUPAC Name]
6-(4-{[3-(2,6-Dichlorphenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophen-3-carbonsäure [German] [ACD/IUPAC Name]
Acide 6-(4-{[3-(2,6-dichlorophényl)-5-isopropyl-1,2-oxazol-4-yl]méthoxy}phényl)-1-benzothiophène-3-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 6-[4-[[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methoxy]phenyl]- [ACD/Index Name]
59G

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

Density: 1.4±0.1 g/cm3
Boiling Point: 722.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 390.8±32.9 °C
Index of Refraction: 1.659
Molar Refractivity: 144.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 9.06
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 5284.26
ACD/KOC (pH 5.5): 3981.40
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 569.67
ACD/KOC (pH 7.4): 429.22
Polar Surface Area: 101 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 390.8±3.0 cm3

Click to predict properties on the Chemicalize site


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