ChemSpider 2D Image | [1-(4,6-Dimethyl-2-pyrimidinyl)-4-piperidinyl]{4-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]-1-piperazinyl}methanone | C22H27N7OS2

[1-(4,6-Dimethyl-2-pyrimidinyl)-4-piperidinyl]{4-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]-1-piperazinyl}methanone

  • Molecular FormulaC22H27N7OS2
  • Average mass469.626 Da
  • Monoisotopic mass469.171844 Da
  • ChemSpider ID34839862

More details:

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

[1-(4,6-Dimethyl-2-pyrimidinyl)-4-piperidinyl]{4-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
[1-(4,6-Dimethyl-2-pyrimidinyl)-4-piperidinyl]{4-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]-1-piperazinyl}methanone [ACD/IUPAC Name]
[1-(4,6-Diméthyl-2-pyrimidinyl)-4-pipéridinyl]{4-[5-(2-thiényl)-1,3,4-thiadiazol-2-yl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl][4-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]-1-piperazinyl]- [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: 714.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.9±35.7 °C
Index of Refraction: 1.643
Molar Refractivity: 127.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 9.41
ACD/KOC (pH 5.5): 78.37
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 130.24
ACD/KOC (pH 7.4): 1085.10
Polar Surface Area: 135 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 351.5±3.0 cm3

Click to predict properties on the Chemicalize site


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