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Search term: OEMQUBXYMQNIGH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(1H-Benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine | C19H15N3O3S

3-(1H-Benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine

  • Molecular FormulaC19H15N3O3S
  • Average mass365.406 Da
  • Monoisotopic mass365.083405 Da
  • ChemSpider ID24656069

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Benzimidazole-2-propanoic acid, α-[(benzo[b]thien-2-ylcarbonyl)amino]-, (αR)- [ACD/Index Name]
3-(1H-Benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanin [German] [ACD/IUPAC Name]
3-(1H-Benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine [ACD/IUPAC Name]
3-(1H-Benzimidazol-2-yl)-N-(1-benzothiophén-2-ylcarbonyl)-D-alanine [French] [ACD/IUPAC Name]
4D9

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

Density: 1.5±0.1 g/cm3
Boiling Point: 782.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.4±3.0 kJ/mol
Flash Point: 427.0±32.9 °C
Index of Refraction: 1.758
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.80
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 77.8±3.0 dyne/cm
Molar Volume: 247.8±3.0 cm3

Click to predict properties on the Chemicalize site


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