ChemSpider 2D Image | 4-[(4-Methyl-1-piperazinyl)methyl]-N-(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl](~2~H)amino}phenyl)(N-~2~H)benzamide | C29H29D2N7O

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

  • Molecular FormulaC29H29D2N7O
  • Average mass495.615 Da
  • Monoisotopic mass495.271576 Da
  • ChemSpider ID95632447
  • 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-(3-pyridinyl)-2-pyrimidinyl](2H)amino}phenyl)(N-2H)benzamid [German] [ACD/IUPAC Name]
4-[(4-Methyl-1-piperazinyl)methyl]-N-(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl](2H)amino}phenyl)(N-2H)benzamide [ACD/IUPAC Name]
4-[(4-Méthyl-1-pipérazinyl)méthyl]-N-(4-méthyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl](2H)amino}phényl)(N-2H)benzamide [French] [ACD/IUPAC Name]
Benzamide-d, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino-d]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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