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Search term: YBJQFWOWWBZCJS-UHFFFAOYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 5-[(4-Methyl-1-piperazinyl)methyl]-N-[4-({[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-2-pyridinecarboxamide | C26H33N7O3

5-[(4-Methyl-1-piperazinyl)methyl]-N-[4-({[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-2-pyridinecarboxamide

  • Molecular FormulaC26H33N7O3
  • Average mass491.585 Da
  • Monoisotopic mass491.264496 Da
  • ChemSpider ID28646934

More details:






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

2-Pyridinecarboxamide, N-[4-[[[[5-(1,1-dimethylethyl)-3-isoxazolyl]amino]carbonyl]amino]phenyl]-5-[(4-methyl-1-piperazinyl)methyl]- [ACD/Index Name]
5-[(4-Methyl-1-piperazinyl)methyl]-N-[4-({[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-2-pyridincarboxamid [German] [ACD/IUPAC Name]
5-[(4-Methyl-1-piperazinyl)methyl]-N-[4-({[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-2-pyridinecarboxamide [ACD/IUPAC Name]
5-[(4-Méthyl-1-pipérazinyl)méthyl]-N-[4-({[5-(2-méthyl-2-propanyl)-1,2-oxazol-3-yl]carbamoyl}amino)phényl]-2-pyridinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 548.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 285.2±30.1 °C
Index of Refraction: 1.652
Molar Refractivity: 139.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.04
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.58
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 6.57
ACD/KOC (pH 7.4): 106.46
Polar Surface Area: 116 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 65.7±3.0 dyne/cm
Molar Volume: 382.1±3.0 cm3

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