ChemSpider 2D Image | N-(4-{4-[({3-[(4-Methyl-1-piperazinyl)methyl]-5-(trifluoromethyl)phenyl}carbamoyl)amino]phenoxy}-2-pyridinyl)cyclopropanecarboxamide | C29H31F3N6O3

N-(4-{4-[({3-[(4-Methyl-1-piperazinyl)methyl]-5-(trifluoromethyl)phenyl}carbamoyl)amino]phenoxy}-2-pyridinyl)cyclopropanecarboxamide

  • Molecular FormulaC29H31F3N6O3
  • Average mass568.590 Da
  • Monoisotopic mass568.240967 Da
  • ChemSpider ID76817993

More details:

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

Cyclopropanecarboxamide, N-[4-[4-[[[[3-[(4-methyl-1-piperazinyl)methyl]-5-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-2-pyridinyl]- [ACD/Index Name]
N-(4-{4-[({3-[(4-Methyl-1-piperazinyl)methyl]-5-(trifluormethyl)phenyl}carbamoyl)amino]phenoxy}-2-pyridinyl)cyclopropancarboxamid [German] [ACD/IUPAC Name]
N-(4-{4-[({3-[(4-Methyl-1-piperazinyl)methyl]-5-(trifluoromethyl)phenyl}carbamoyl)amino]phenoxy}-2-pyridinyl)cyclopropanecarboxamide [ACD/IUPAC Name]
N-(4-{4-[({3-[(4-Méthyl-1-pipérazinyl)méthyl]-5-(trifluorométhyl)phényl}carbamoyl)amino]phénoxy}-2-pyridinyl)cyclopropanecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 627.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.6±31.5 °C
Index of Refraction: 1.654
Molar Refractivity: 149.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 6.76
ACD/KOC (pH 5.5): 34.89
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 322.38
ACD/KOC (pH 7.4): 1664.76
Polar Surface Area: 99 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 64.0±3.0 dyne/cm
Molar Volume: 407.0±3.0 cm3

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