ChemSpider 2D Image | N-Cyclopropyl-4-[({4-[4-(4-methoxyphenyl)-1-piperazinyl]-5,6-dimethyl-2-pyrimidinyl}sulfanyl)methyl]benzamide | C28H33N5O2S

N-Cyclopropyl-4-[({4-[4-(4-methoxyphenyl)-1-piperazinyl]-5,6-dimethyl-2-pyrimidinyl}sulfanyl)methyl]benzamide

  • Molecular FormulaC28H33N5O2S
  • Average mass503.659 Da
  • Monoisotopic mass503.235504 Da
  • ChemSpider ID21565754

More details:

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

Benzamide, N-cyclopropyl-4-[[[4-[4-(4-methoxyphenyl)-1-piperazinyl]-5,6-dimethyl-2-pyrimidinyl]thio]methyl]- [ACD/Index Name]
N-Cyclopropyl-4-[({4-[4-(4-methoxyphenyl)-1-piperazinyl]-5,6-dimethyl-2-pyrimidinyl}sulfanyl)methyl]benzamid [German] [ACD/IUPAC Name]
N-Cyclopropyl-4-[({4-[4-(4-methoxyphenyl)-1-piperazinyl]-5,6-dimethyl-2-pyrimidinyl}sulfanyl)methyl]benzamide [ACD/IUPAC Name]
N-Cyclopropyl-4-[({4-[4-(4-méthoxyphényl)-1-pipérazinyl]-5,6-diméthyl-2-pyrimidinyl}sulfanyl)méthyl]benzamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 760.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 413.9±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 30.49
ACD/KOC (pH 5.5): 124.77
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1215.51
ACD/KOC (pH 7.4): 4973.96
Polar Surface Area: 96 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 387.9±5.0 cm3

Click to predict properties on the Chemicalize site


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