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Search term: PFCVWXAGCYCOIQ-SFHVURJKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl 2-[({[(2S)-2-{[3-(trifluoromethoxy)phenyl]carbamoyl}-1-pyrrolidinyl]carbonyl}amino)methyl]benzoate | C22H22F3N3O5

Methyl 2-[({[(2S)-2-{[3-(trifluoromethoxy)phenyl]carbamoyl}-1-pyrrolidinyl]carbonyl}amino)methyl]benzoate

  • Molecular FormulaC22H22F3N3O5
  • Average mass465.422 Da
  • Monoisotopic mass465.151154 Da
  • ChemSpider ID59052930

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[({[(2S)-2-{[3-(Trifluorométhoxy)phényl]carbamoyl}-1-pyrrolidinyl]carbonyl}amino)méthyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[[(2S)-2-[[[3-(trifluoromethoxy)phenyl]amino]carbonyl]-1-pyrrolidinyl]carbonyl]amino]methyl]-, methyl ester [ACD/Index Name]
Methyl 2-[({[(2S)-2-{[3-(trifluoromethoxy)phenyl]carbamoyl}-1-pyrrolidinyl]carbonyl}amino)methyl]benzoate [ACD/IUPAC Name]
Methyl-2-[({[(2S)-2-{[3-(trifluormethoxy)phenyl]carbamoyl}-1-pyrrolidinyl]carbonyl}amino)methyl]benzoat [German] [ACD/IUPAC Name]
5W5
Methyl 2-[[[(2~{s})-2-[[3-(Trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-Yl]carbonylamino]methyl]benzoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 680.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.1±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 112.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 216.51
ACD/KOC (pH 5.5): 1634.36
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 216.51
ACD/KOC (pH 7.4): 1634.35
Polar Surface Area: 97 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 337.4±3.0 cm3

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