ChemSpider 2D Image | (4R)-1-(1-Benzofuran-3-ylcarbonyl)-N-ethyl-4-{[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-L-prolinamide | C23H27N5O4

(4R)-1-(1-Benzofuran-3-ylcarbonyl)-N-ethyl-4-{[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-L-prolinamide

  • Molecular FormulaC23H27N5O4
  • Average mass437.492 Da
  • Monoisotopic mass437.206299 Da
  • ChemSpider ID31129628
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4R)-1-(1-Benzofuran-3-ylcarbonyl)-N-ethyl-4-{[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-1-(1-Benzofuran-3-ylcarbonyl)-N-ethyl-4-{[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-L-prolinamide [ACD/IUPAC Name]
(4R)-1-(1-Benzofuran-3-ylcarbonyl)-N-éthyl-4-{[(3-éthyl-1-méthyl-1H-pyrazol-5-yl)carbonyl]amino}-L-prolinamide [French] [ACD/IUPAC Name]
1H-Pyrazole-5-carboxamide, N-[(3R,5S)-1-(3-benzofuranylcarbonyl)-5-[(ethylamino)carbonyl]-3-pyrrolidinyl]-3-ethyl-1-methyl- [ACD/Index Name]
N-((3r,5s)-1-(Benzofuran-3-Carbonyl)-5-(Ethylcarbamoyl)pyrrolidin-3-Yl)-3-Ethyl-1-Methyl-1h-Pyrazole-5-Carboxamide
10.1021/jm401326j
KV1

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

Density: 1.4±0.1 g/cm3
Boiling Point: 730.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.3±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 118.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.15
ACD/KOC (pH 5.5): 96.36
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.15
ACD/KOC (pH 7.4): 96.36
Polar Surface Area: 109 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 319.9±7.0 cm3

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