ChemSpider 2D Image | 1-[4-(4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-1,3-thiazol-2-yl)-1-piperidinyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanone | C28H38N4O7S

1-[4-(4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-1,3-thiazol-2-yl)-1-piperidinyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanone

  • Molecular FormulaC28H38N4O7S
  • Average mass574.689 Da
  • Monoisotopic mass574.246094 Da
  • ChemSpider ID2788511

More details:

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

1-[4-(4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-1,3-thiazol-2-yl)-1-piperidinyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanon [German] [ACD/IUPAC Name]
1-[4-(4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-1,3-thiazol-2-yl)-1-piperidinyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanone [ACD/IUPAC Name]
1-[4-(4-{[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]carbonyl}-1,3-thiazol-2-yl)-1-pipéridinyl]-2-[2-(2-méthoxyéthoxy)éthoxy]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl]-2-thiazolyl]-1-piperidinyl]-2-[2-(2-methoxyethoxy)ethoxy]- [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: 728.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.5±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 149.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.06
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.54
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.24
ACD/KOC (pH 7.4): 40.01
Polar Surface Area: 131 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 442.9±3.0 cm3

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