Found 1 result

Search term: WFKQHFRAVGTTCE-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-({3-[4-(2-Pyridinyl)-1-piperazinyl]propyl}sulfanyl)-1,3-benzothiazole | C19H22N4S2

2-({3-[4-(2-Pyridinyl)-1-piperazinyl]propyl}sulfanyl)-1,3-benzothiazole

  • Molecular FormulaC19H22N4S2
  • Average mass370.535 Da
  • Monoisotopic mass370.128601 Da
  • ChemSpider ID24698643

More details:

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

2-({3-[4-(2-Pyridinyl)-1-piperazinyl]propyl}sulfanyl)-1,3-benzothiazol [German] [ACD/IUPAC Name]
2-({3-[4-(2-Pyridinyl)-1-piperazinyl]propyl}sulfanyl)-1,3-benzothiazole [ACD/IUPAC Name]
2-({3-[4-(2-Pyridinyl)-1-pipérazinyl]propyl}sulfanyl)-1,3-benzothiazole [French] [ACD/IUPAC Name]
Benzothiazole, 2-[[3-[4-(2-pyridinyl)-1-piperazinyl]propyl]thio]- [ACD/Index Name]
2-[[3-[4-(Pyridin-2-yl)-1-piperazinyl]propyl]thio]benzothiazole
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL478413/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 558.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.5±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 108.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.71
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 99.17
ACD/KOC (pH 7.4): 522.28
Polar Surface Area: 86 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 282.0±5.0 cm3

Click to predict properties on the Chemicalize site


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