ChemSpider 2D Image | 2-(4-{4-Amino-5-[(4-methoxyphenyl)sulfonyl]-2-pyrimidinyl}-1-piperazinyl)-1-(1-piperidinyl)ethanone | C22H30N6O4S

2-(4-{4-Amino-5-[(4-methoxyphenyl)sulfonyl]-2-pyrimidinyl}-1-piperazinyl)-1-(1-piperidinyl)ethanone

  • Molecular FormulaC22H30N6O4S
  • Average mass474.576 Da
  • Monoisotopic mass474.204926 Da
  • ChemSpider ID27316856

More details:






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

2-(4-{4-Amino-5-[(4-methoxyphenyl)sulfonyl]-2-pyrimidinyl}-1-piperazinyl)-1-(1-piperidinyl)ethanon [German] [ACD/IUPAC Name]
2-(4-{4-Amino-5-[(4-methoxyphenyl)sulfonyl]-2-pyrimidinyl}-1-piperazinyl)-1-(1-piperidinyl)ethanone [ACD/IUPAC Name]
2-(4-{4-Amino-5-[(4-méthoxyphényl)sulfonyl]-2-pyrimidinyl}-1-pipérazinyl)-1-(1-pipéridinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[4-[4-amino-5-[(4-methoxyphenyl)sulfonyl]-2-pyrimidinyl]-1-piperazinyl]-1-(1-piperidinyl)- [ACD/Index Name]
2-(4-{4-amino-5-[(4-methoxyphenyl)sulfonyl]pyrimidin-2-yl}piperazin-1-yl)-1-(piperidin-1-yl)ethanone
2-{4-[4-Amino-5-(4-methoxy-benzenesulfonyl)-pyrimidin-2-yl]-piperazin-1-yl}-1-piperidin-1-yl-ethanone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 744.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 403.7±35.7 °C
Index of Refraction: 1.611
Molar Refractivity: 124.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 27.87
ACD/KOC (pH 5.5): 317.29
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.47
ACD/KOC (pH 7.4): 574.63
Polar Surface Area: 130 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 358.6±3.0 cm3

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