ChemSpider 2D Image | 1-{4-[4-({4-[2-(Ethylamino)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)phenyl]-1-piperazinyl}ethanone | C22H27N7OS

1-{4-[4-({4-[2-(Ethylamino)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)phenyl]-1-piperazinyl}ethanone

  • Molecular FormulaC22H27N7OS
  • Average mass437.561 Da
  • Monoisotopic mass437.199768 Da
  • ChemSpider ID24809037

More details:

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

1-{4-[4-({4-[2-(Ethylamino)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)phenyl]-1-piperazinyl}ethanon [German] [ACD/IUPAC Name]
1-{4-[4-({4-[2-(Ethylamino)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)phenyl]-1-piperazinyl}ethanone [ACD/IUPAC Name]
1-{4-[4-({4-[2-(Éthylamino)-4-méthyl-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)phényl]-1-pipérazinyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[4-[[4-[2-(ethylamino)-4-methyl-5-thiazolyl]-2-pyrimidinyl]amino]phenyl]-1-piperazinyl]- [ACD/Index Name]
Kinome_637

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

Density: 1.3±0.1 g/cm3
Boiling Point: 693.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.3±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 124.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 42.76
ACD/KOC (pH 5.5): 486.06
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 51.16
ACD/KOC (pH 7.4): 581.50
Polar Surface Area: 115 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 336.7±3.0 cm3

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