ChemSpider 2D Image | N-[3-(4-Chloro-2-{[(5-cyano-2-pyridinyl)carbamoyl]amino}phenoxy)propyl]-3-methoxytyrosinamide | C26H27ClN6O5

N-[3-(4-Chloro-2-{[(5-cyano-2-pyridinyl)carbamoyl]amino}phenoxy)propyl]-3-methoxytyrosinamide

  • Molecular FormulaC26H27ClN6O5
  • Average mass538.983 Da
  • Monoisotopic mass538.173157 Da
  • ChemSpider ID9630333

More details:

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

Benzenepropanamide, α-amino-N-[3-[4-chloro-2-[[[(5-cyano-2-pyridinyl)amino]carbonyl]amino]phenoxy]propyl]-4-hydroxy-3-methoxy- [ACD/Index Name]
N-[3-(4-Chlor-2-{[(5-cyan-2-pyridinyl)carbamoyl]amino}phenoxy)propyl]-3-methoxytyrosinamid [German] [ACD/IUPAC Name]
N-[3-(4-Chloro-2-{[(5-cyano-2-pyridinyl)carbamoyl]amino}phenoxy)propyl]-3-methoxytyrosinamide [ACD/IUPAC Name]
N-[3-(4-Chloro-2-{[(5-cyano-2-pyridinyl)carbamoyl]amino}phénoxy)propyl]-3-méthoxytyrosinamide [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: 747.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 406.1±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 140.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.66
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 34.84
ACD/KOC (pH 7.4): 363.18
Polar Surface Area: 172 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 76.5±5.0 dyne/cm
Molar Volume: 381.1±5.0 cm3

Click to predict properties on the Chemicalize site


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