ChemSpider 2D Image | [4-(2-Ethoxyphenyl)-1-piperazinyl][2-(1-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-4-piperidinyl)-1,3-thiazol-4-yl]methanone | C31H39N7O3S

[4-(2-Ethoxyphenyl)-1-piperazinyl][2-(1-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-4-piperidinyl)-1,3-thiazol-4-yl]methanone

  • Molecular FormulaC31H39N7O3S
  • Average mass589.752 Da
  • Monoisotopic mass589.283508 Da
  • ChemSpider ID2945530

More details:

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

[4-(2-Ethoxyphenyl)-1-piperazinyl][2-(1-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-4-piperidinyl)-1,3-thiazol-4-yl]methanon [German] [ACD/IUPAC Name]
[4-(2-Ethoxyphenyl)-1-piperazinyl][2-(1-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-4-piperidinyl)-1,3-thiazol-4-yl]methanone [ACD/IUPAC Name]
[4-(2-Éthoxyphényl)-1-pipérazinyl][2-(1-{[4-(2-pyridinyl)-1-pipérazinyl]carbonyl}-4-pipéridinyl)-1,3-thiazol-4-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(2-ethoxyphenyl)-1-piperazinyl][2-[1-[[4-(2-pyridinyl)-1-piperazinyl]carbonyl]-4-piperidinyl]-4-thiazolyl]- [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: 785.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 428.6±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 163.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.61
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 9.10
ACD/KOC (pH 7.4): 95.14
Polar Surface Area: 114 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 458.5±3.0 cm3

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