ChemSpider 2D Image | 4-[(4-Methyl-1-piperazinyl)methyl]-N-(4-methyl-3-{[4-(2-pyridinyl)-2-pyrimidinyl]amino}phenyl)benzamide | C29H31N7O

4-[(4-Methyl-1-piperazinyl)methyl]-N-(4-methyl-3-{[4-(2-pyridinyl)-2-pyrimidinyl]amino}phenyl)benzamide

  • Molecular FormulaC29H31N7O
  • Average mass493.603 Da
  • Monoisotopic mass493.259003 Da
  • ChemSpider ID23205453

More details:

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

4-[(4-Methyl-1-piperazinyl)methyl]-N-(4-methyl-3-{[4-(2-pyridinyl)-2-pyrimidinyl]amino}phenyl)benzamid [German] [ACD/IUPAC Name]
4-[(4-Methyl-1-piperazinyl)methyl]-N-(4-methyl-3-{[4-(2-pyridinyl)-2-pyrimidinyl]amino}phenyl)benzamide [ACD/IUPAC Name]
4-[(4-Méthyl-1-pipérazinyl)méthyl]-N-(4-méthyl-3-{[4-(2-pyridinyl)-2-pyrimidinyl]amino}phényl)benzamide [French] [ACD/IUPAC Name]
4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-2-yl)pyrimidin-2-yl]amino}phenyl)benzamide
Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(2-pyridinyl)-2-pyrimidinyl]amino]phenyl]- [ACD/Index Name]
4-(4-Methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-2-yl-pyrimidin-2-ylamino)-phenyl]-benzamide(ST1571)

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 147.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 2.48
ACD/KOC (pH 5.5): 17.52
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 109.26
ACD/KOC (pH 7.4): 772.49
Polar Surface Area: 86 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 393.0±3.0 cm3

Click to predict properties on the Chemicalize site


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