ChemSpider 2D Image | Ethyl 4-[({5-[4-(3-fluoro-4-{[(2-fluoro-5-methylphenyl)carbamoyl]amino}phenoxy)-2-pyridinyl]-3-pyrrolidinyl}carbonyl)amino]butanoate | C30H33F2N5O5

Ethyl 4-[({5-[4-(3-fluoro-4-{[(2-fluoro-5-methylphenyl)carbamoyl]amino}phenoxy)-2-pyridinyl]-3-pyrrolidinyl}carbonyl)amino]butanoate

  • Molecular FormulaC30H33F2N5O5
  • Average mass581.610 Da
  • Monoisotopic mass581.244995 Da
  • ChemSpider ID128949483

More details:

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

4-[({5-[4-(3-Fluoro-4-{[(2-fluoro-5-méthylphényl)carbamoyl]amino}phénoxy)-2-pyridinyl]-3-pyrrolidinyl}carbonyl)amino]butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[[5-[4-[3-fluoro-4-[[[(2-fluoro-5-methylphenyl)amino]carbonyl]amino]phenoxy]-2-pyridinyl]-3-pyrrolidinyl]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-[({5-[4-(3-fluoro-4-{[(2-fluoro-5-methylphenyl)carbamoyl]amino}phenoxy)-2-pyridinyl]-3-pyrrolidinyl}carbonyl)amino]butanoate [ACD/IUPAC Name]
Ethyl-4-[({5-[4-(3-fluor-4-{[(2-fluor-5-methylphenyl)carbamoyl]amino}phenoxy)-2-pyridinyl]-3-pyrrolidinyl}carbonyl)amino]butanoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 671.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.1±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 152.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 2.31
ACD/KOC (pH 5.5): 18.35
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 88.80
ACD/KOC (pH 7.4): 705.57
Polar Surface Area: 131 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 443.9±3.0 cm3

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