ChemSpider 2D Image | 1-Methyl-4-{4-[(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)carbamoyl]benzyl}piperazinediium | C29H33N7O

1-Methyl-4-{4-[(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)carbamoyl]benzyl}piperazinediium

  • Molecular FormulaC29H33N7O
  • Average mass495.617 Da
  • Monoisotopic mass495.273560 Da
  • ChemSpider ID21202083
  • Charge - Charge


More details:






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

1-Methyl-4-{4-[(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)carbamoyl]benzyl}piperazindiium [German] [ACD/IUPAC Name]
1-Methyl-4-{4-[(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)carbamoyl]benzyl}piperazinediium [ACD/IUPAC Name]
1-Méthyl-4-{4-[(4-méthyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phényl)carbamoyl]benzyl}pipérazinediium [French] [ACD/IUPAC Name]
Piperazinium, 1-methyl-4-[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#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: 89 Å2
Polarizability:
Surface Tension:
Molar Volume:

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