ChemSpider 2D Image | N-({(3s)-1-[6-Tert-Butyl-5-Methoxy-8-(2-Oxo-1,2-Dihydropyridin-3-Yl)quinolin-3-Yl]pyrrolidin-3-Yl}methyl)methanesulfonamide | C25H32N4O4S

N-({(3s)-1-[6-Tert-Butyl-5-Methoxy-8-(2-Oxo-1,2-Dihydropyridin-3-Yl)quinolin-3-Yl]pyrrolidin-3-Yl}methyl)methanesulfonamide

  • Molecular FormulaC25H32N4O4S
  • Average mass484.611 Da
  • Monoisotopic mass484.214417 Da
  • ChemSpider ID31140754

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Methanesulfonamide, N-[[(3S)-1-[8-(1,2-dihydro-2-oxo-3-pyridinyl)-6-(1,1-dimethylethyl)-5-methoxy-3-quinolinyl]-3-pyrrolidinyl]methyl]- [ACD/Index Name]
N-({(3S)-1-[5-Methoxy-6-(2-methyl-2-propanyl)-8-(2-oxo-1,2-dihydro-3-pyridinyl)-3-chinolinyl]-3-pyrrolidinyl}methyl)methansulfonamid [German] [ACD/IUPAC Name]
N-({(3S)-1-[5-Méthoxy-6-(2-méthyl-2-propanyl)-8-(2-oxo-1,2-dihydro-3-pyridinyl)-3-quinoléinyl]-3-pyrrolidinyl}méthyl)méthanesulfonamide [French] [ACD/IUPAC Name]
N-({(3S)-1-[5-Methoxy-6-(2-methyl-2-propanyl)-8-(2-oxo-1,2-dihydro-3-pyridinyl)-3-quinolinyl]-3-pyrrolidinyl}methyl)methanesulfonamide [ACD/IUPAC Name]
N-({(3s)-1-[6-Tert-Butyl-5-Methoxy-8-(2-Oxo-1,2-Dihydropyridin-3-Yl)quinolin-3-Yl]pyrrolidin-3-Yl}methyl)methanesulfonamide
28M

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.605
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.50
ACD/KOC (pH 5.5): 398.41
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.39
ACD/KOC (pH 7.4): 410.05
Polar Surface Area: 109 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 387.7±3.0 cm3

Click to predict properties on the Chemicalize site


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