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

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

  • Molecular FormulaC23H22ClFN4O4S
  • Average mass504.962 Da
  • Monoisotopic mass504.103424 Da
  • ChemSpider ID10152349

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Pyrrolidineacetamide, 3-[[(5-chloro-2-thienyl)carbonyl]amino]-N-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-4-methoxy-, (3S,4S)- [ACD/Index Name]
5-Chlor-N-[(3S,4S)-1-(2-{[2-fluor-4-(2-oxo-1(2H)-pyridinyl)phenyl]amino}-2-oxoethyl)-4-methoxy-3-pyrrolidinyl]-2-thiophencarboxamid [German] [ACD/IUPAC Name]
5-Chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]amino}-2-oxoethyl)-4-methoxy-3-pyrrolidinyl]-2-thiophenecarboxamide [ACD/IUPAC Name]
5-Chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phényl]amino}-2-oxoéthyl)-4-méthoxy-3-pyrrolidinyl]-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
5-Chloro-N-[(3s,4s)-1-(2-{[2-Fluoro-4-(2-Oxopyridin-1(2h)-Yl)phenyl]amino}-2-Oxoethyl)-4-Methoxypyrrolidin-3-Yl]thiophene-2-Carboxamide
5-chloro-N-((3S,4S)-1-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenylamino)-2-oxoethyl)-4-methoxypyrrolidin-3-yl)thiophene-2-carboxamide
LZF

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

Density: 1.5±0.1 g/cm3
Boiling Point: 748.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 406.2±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 127.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.22
ACD/KOC (pH 5.5): 83.39
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.26
ACD/KOC (pH 7.4): 143.45
Polar Surface Area: 119 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 68.4±5.0 dyne/cm
Molar Volume: 341.8±5.0 cm3

Click to predict properties on the Chemicalize site


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