ChemSpider 2D Image | 1-(4-{2-[({5-[(4-Acetyl-1-piperazinyl)carbonyl]-2-furyl}methyl)sulfanyl]-6-(methoxymethyl)-4-pyrimidinyl}-1-piperazinyl)ethanone | C24H32N6O5S

1-(4-{2-[({5-[(4-Acetyl-1-piperazinyl)carbonyl]-2-furyl}methyl)sulfanyl]-6-(methoxymethyl)-4-pyrimidinyl}-1-piperazinyl)ethanone

  • Molecular FormulaC24H32N6O5S
  • Average mass516.613 Da
  • Monoisotopic mass516.215515 Da
  • ChemSpider ID21564153

More details:

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

1-(4-{2-[({5-[(4-Acetyl-1-piperazinyl)carbonyl]-2-furyl}methyl)sulfanyl]-6-(methoxymethyl)-4-pyrimidinyl}-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
1-(4-{2-[({5-[(4-Acetyl-1-piperazinyl)carbonyl]-2-furyl}methyl)sulfanyl]-6-(methoxymethyl)-4-pyrimidinyl}-1-piperazinyl)ethanone [ACD/IUPAC Name]
1-(4-{2-[({5-[(4-Acétyl-1-pipérazinyl)carbonyl]-2-furyl}méthyl)sulfanyl]-6-(méthoxyméthyl)-4-pyrimidinyl}-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[2-[[[5-[(4-acetyl-1-piperazinyl)carbonyl]-2-furanyl]methyl]thio]-6-(methoxymethyl)-4-pyrimidinyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 789.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 431.5±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.28
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.45
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.58
Polar Surface Area: 138 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 375.4±5.0 cm3

Click to predict properties on the Chemicalize site


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