Found 329 results

Search term: MF = 'C_{22}H_{27}N_{7}O_{2}S'
ChemSpider 2D Image | N-(2-Ethylphenyl)-2-(4-{[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}-1-piperazinyl)acetamide | C22H27N7O2S

N-(2-Ethylphenyl)-2-(4-{[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}-1-piperazinyl)acetamide

  • Molecular FormulaC22H27N7O2S
  • Average mass453.560 Da
  • Monoisotopic mass453.194702 Da
  • ChemSpider ID24117881

More details:

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

1-Piperazineacetamide, N-(2-ethylphenyl)-4-[2-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]- [ACD/Index Name]
N-(2-Ethylphenyl)-2-(4-{[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}-1-piperazinyl)acetamid [German] [ACD/IUPAC Name]
N-(2-Ethylphenyl)-2-(4-{[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}-1-piperazinyl)acetamide [ACD/IUPAC Name]
N-(2-Éthylphényl)-2-(4-{2-[(1-méthyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acétyl}-1-pipérazinyl)acétamide [French] [ACD/IUPAC 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: 711.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 383.9±32.9 °C
Index of Refraction: 1.693
Molar Refractivity: 127.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.75
ACD/KOC (pH 5.5): 136.25
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.80
ACD/KOC (pH 7.4): 137.20
Polar Surface Area: 122 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 330.9±7.0 cm3

Click to predict properties on the Chemicalize site


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