ChemSpider 2D Image | 7-[(4-{5-[(4-Methyl-1-piperazinyl)sulfonyl]-2-pyridinyl}-1-piperazinyl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one | C21H27N7O3S2

7-[(4-{5-[(4-Methyl-1-piperazinyl)sulfonyl]-2-pyridinyl}-1-piperazinyl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

  • Molecular FormulaC21H27N7O3S2
  • Average mass489.614 Da
  • Monoisotopic mass489.161682 Da
  • ChemSpider ID21691786

More details:






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

5H-Thiazolo[3,2-a]pyrimidin-5-one, 7-[[4-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]-1-piperazinyl]methyl]- [ACD/Index Name]
7-[(4-{5-[(4-Methyl-1-piperazinyl)sulfonyl]-2-pyridinyl}-1-piperazinyl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-on [German] [ACD/IUPAC Name]
7-[(4-{5-[(4-Methyl-1-piperazinyl)sulfonyl]-2-pyridinyl}-1-piperazinyl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one [ACD/IUPAC Name]
7-[(4-{5-[(4-Méthyl-1-pipérazinyl)sulfonyl]-2-pyridinyl}-1-pipérazinyl)méthyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 686.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.1±34.3 °C
Index of Refraction: 1.745
Molar Refractivity: 130.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.26
ACD/LogD (pH 5.5): -1.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.31
Polar Surface Area: 126 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 69.3±7.0 dyne/cm
Molar Volume: 322.3±7.0 cm3

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