ChemSpider 2D Image | 2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-(3-(piperidin-4-yloxy)benzo[b]thiophen-2-yl)-1,3,4-oxadiazole | C21H23N5O2S

2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-(3-(piperidin-4-yloxy)benzo[b]thiophen-2-yl)-1,3,4-oxadiazole

  • Molecular FormulaC21H23N5O2S
  • Average mass409.505 Da
  • Monoisotopic mass409.157257 Da
  • ChemSpider ID29776440

More details:

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

2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-(3-(piperidin-4-yloxy)benzo[b]thiophen-2-yl)-1,3,4-oxadiazole
4-[(2-{5-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidin [German] [ACD/IUPAC Name]
4-[(2-{5-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine [ACD/IUPAC Name]
4-[(2-{5-[(3,5-Diméthyl-1H-pyrazol-4-yl)méthyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophén-3-yl)oxy]pipéridine [French] [ACD/IUPAC Name]
Piperidine, 4-[[2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]benzo[b]thien-3-yl]oxy]- [ACD/Index Name]

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

370 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 685.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.5±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 113.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.61
Polar Surface Area: 117 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 313.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement