Found 1 result

Search term: QNRBXIFESPTMST-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carbothioamide | C18H15N3OS

3-Hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carbothioamide

  • Molecular FormulaC18H15N3OS
  • Average mass321.396 Da
  • Monoisotopic mass321.093567 Da
  • ChemSpider ID13612806

More details:

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

3-Hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazol-4-carbothioamid [German] [ACD/IUPAC Name]
3-Hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carbothioamide [ACD/IUPAC Name]
3-Hydroxy-N-phényl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carbothioamide [French] [ACD/IUPAC Name]
Pyrido[1,2-a]benzimidazole-4-carbothioamide, 1,2-dihydro-3-hydroxy-N-phenyl- [ACD/Index Name]
3-Oxo-1,2,3,5-tetrahydro-benzo[4,5]imidazo[1,2-a]pyridine-4-carbothioic acid phenylamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL416318/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 528.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 273.4±32.9 °C
Index of Refraction: 1.730
Molar Refractivity: 93.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.45
ACD/KOC (pH 5.5): 1482.15
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 182.42
ACD/KOC (pH 7.4): 1427.19
Polar Surface Area: 82 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 234.5±7.0 cm3

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