ChemSpider 2D Image | 1-(4-{4-[({4-[Cyclohexyl(methyl)amino]-6-ethyl-2-pyrimidinyl}sulfanyl)methyl]benzoyl}-1-piperazinyl)ethanone | C27H37N5O2S

1-(4-{4-[({4-[Cyclohexyl(methyl)amino]-6-ethyl-2-pyrimidinyl}sulfanyl)methyl]benzoyl}-1-piperazinyl)ethanone

  • Molecular FormulaC27H37N5O2S
  • Average mass495.680 Da
  • Monoisotopic mass495.266785 Da
  • ChemSpider ID21562965

More details:

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

1-(4-{4-[({4-[Cyclohexyl(methyl)amino]-6-ethyl-2-pyrimidinyl}sulfanyl)methyl]benzoyl}-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
1-(4-{4-[({4-[Cyclohexyl(methyl)amino]-6-ethyl-2-pyrimidinyl}sulfanyl)methyl]benzoyl}-1-piperazinyl)ethanone [ACD/IUPAC Name]
1-(4-{4-[({4-[Cyclohexyl(méthyl)amino]-6-éthyl-2-pyrimidinyl}sulfanyl)méthyl]benzoyl}-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[4-[[[4-(cyclohexylmethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]benzoyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 723.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.6±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 573.28
ACD/KOC (pH 5.5): 2921.91
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 856.76
ACD/KOC (pH 7.4): 4366.77
Polar Surface Area: 95 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 400.6±5.0 cm3

Click to predict properties on the Chemicalize site


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