ChemSpider 2D Image | (5Z)-5-Benzylidene-2-(4-{[1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl](3-pyridinyl)methyl}-1-piperazinyl)-1,3-thiazol-4(5H)-one | C25H28N8OS

(5Z)-5-Benzylidene-2-(4-{[1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl](3-pyridinyl)methyl}-1-piperazinyl)-1,3-thiazol-4(5H)-one

  • Molecular FormulaC25H28N8OS
  • Average mass488.608 Da
  • Monoisotopic mass488.210663 Da
  • ChemSpider ID58114046

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-5-Benzyliden-2-(4-{[1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl](3-pyridinyl)methyl}-1-piperazinyl)-1,3-thiazol-4(5H)-on [German] [ACD/IUPAC Name]
(5Z)-5-Benzylidene-2-(4-{[1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl](3-pyridinyl)methyl}-1-piperazinyl)-1,3-thiazol-4(5H)-one [ACD/IUPAC Name]
(5Z)-5-Benzylidène-2-(4-{[1-(2-méthyl-2-propanyl)-1H-tétrazol-5-yl](3-pyridinyl)méthyl}-1-pipérazinyl)-1,3-thiazol-4(5H)-one [French] [ACD/IUPAC Name]
4(5H)-Thiazolone, 2-[4-[[1-(1,1-dimethylethyl)-1H-tetrazol-5-yl]-3-pyridinylmethyl]-1-piperazinyl]-5-(phenylmethylene)-, (5Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 696.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 375.2±34.3 °C
Index of Refraction: 1.705
Molar Refractivity: 140.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.25
ACD/KOC (pH 5.5): 426.19
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.25
ACD/KOC (pH 7.4): 463.55
Polar Surface Area: 118 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 362.5±7.0 cm3

Click to predict properties on the Chemicalize site


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