ChemSpider 2D Image | (3R,4S)-3-({[(5-Chloro-2-thienyl)carbonyl]amino}methyl)-N-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-4-methoxy-1-pyrrolidinecarboxamide | C23H22ClFN4O4S

(3R,4S)-3-({[(5-Chloro-2-thienyl)carbonyl]amino}methyl)-N-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-4-methoxy-1-pyrrolidinecarboxamide

  • Molecular FormulaC23H22ClFN4O4S
  • Average mass504.962 Da
  • Monoisotopic mass504.103424 Da
  • ChemSpider ID10152469

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-3-({[(5-Chlor-2-thienyl)carbonyl]amino}methyl)-N-[2-fluor-4-(2-oxo-1(2H)-pyridinyl)phenyl]-4-methoxy-1-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3R,4S)-3-({[(5-Chloro-2-thienyl)carbonyl]amino}methyl)-N-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-4-methoxy-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3R,4S)-3-({[(5-Chloro-2-thiényl)carbonyl]amino}méthyl)-N-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phényl]-4-méthoxy-1-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxamide, 3-[[[(5-chloro-2-thienyl)carbonyl]amino]methyl]-N-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-4-methoxy-, (3R,4S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 761.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 414.6±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: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 14.09
ACD/KOC (pH 5.5): 231.18
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 14.09
ACD/KOC (pH 7.4): 231.14
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

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