ChemSpider 2D Image | 4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-({4-[(4-~2~H)-3-pyridinyl]-2-pyrimidinyl}amino)phenyl]benzamide | C29H30DN7O

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

  • Molecular FormulaC29H30DN7O
  • Average mass494.609 Da
  • Monoisotopic mass494.265289 Da
  • ChemSpider ID74829771
  • Non-standard isotope - Non-standard isotope


More details:






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

4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-({4-[(4-2H)-3-pyridinyl]-2-pyrimidinyl}amino)phenyl]benzamid [German] [ACD/IUPAC Name]
4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-({4-[(4-2H)-3-pyridinyl]-2-pyrimidinyl}amino)phenyl]benzamide [ACD/IUPAC Name]
4-[(4-Méthyl-1-pipérazinyl)méthyl]-N-[4-méthyl-3-({4-[(4-2H)-3-pyridinyl]-2-pyrimidinyl}amino)phényl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl-4-d)-2-pyrimidinyl]amino]phenyl]- [ACD/Index Name]

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

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: 2.48
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.22
ACD/KOC (pH 5.5): 10.55
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 53.82
ACD/KOC (pH 7.4): 465.27
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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