ChemSpider 2D Image | 5-Chloro-N-[1-(2-{[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]amino}-2-oxoethyl)-5-(hydroxymethyl)-3-pyrrolidinyl]-2-thiophenecarboxamide | C23H22ClFN4O4S

5-Chloro-N-[1-(2-{[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]amino}-2-oxoethyl)-5-(hydroxymethyl)-3-pyrrolidinyl]-2-thiophenecarboxamide

  • Molecular FormulaC23H22ClFN4O4S
  • Average mass504.962 Da
  • Monoisotopic mass504.103424 Da
  • ChemSpider ID24617560
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1-Pyrrolidineacetamide, 4-[[(5-chloro-2-thienyl)carbonyl]amino]-N-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-2-(hydroxymethyl)- [ACD/Index Name]
5-Chlor-N-[1-(2-{[2-fluor-4-(2-oxo-1(2H)-pyridinyl)phenyl]amino}-2-oxoethyl)-5-(hydroxymethyl)-3-pyrrolidinyl]-2-thiophencarboxamid [German] [ACD/IUPAC Name]
5-Chloro-N-[1-(2-{[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]amino}-2-oxoethyl)-5-(hydroxymethyl)-3-pyrrolidinyl]-2-thiophenecarboxamide [ACD/IUPAC Name]
5-Chloro-N-[1-(2-{[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phényl]amino}-2-oxoéthyl)-5-(hydroxyméthyl)-3-pyrrolidinyl]-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
5-chloro-thiophene-2-carboxylic acid ((3R,5S)-1-{[2-fluoro-4-(2-oxo-pyridin-1-yl)-phenylcarbamoyl]-methyl}-5-hydroxymethyl-pyrrolidin-3-yl)-amide
5-chloro-N-((3R,5S)-1-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenylamino)-2-oxoethyl)-5-(hydroxymethyl)pyrrolidin-3-yl)thiophene-2-carboxamide
LZH

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

Density: 1.5±0.1 g/cm3
Boiling Point: 783.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 427.4±32.9 °C
Index of Refraction: 1.690
Molar Refractivity: 127.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.15
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.83
ACD/KOC (pH 7.4): 90.04
Polar Surface Area: 130 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 74.9±5.0 dyne/cm
Molar Volume: 333.1±5.0 cm3

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