ChemSpider 2D Image | 3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-4-[(7-fluoro-4-methoxy-1-isoquinolinyl)oxy]-L-prolinamide | C35H46FN5O9S

3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-4-[(7-fluoro-4-methoxy-1-isoquinolinyl)oxy]-L-prolinamide

  • Molecular FormulaC35H46FN5O9S
  • Average mass731.831 Da
  • Monoisotopic mass731.300049 Da
  • ChemSpider ID34533438

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-4-[(7-fluor-4-methoxy-1-isochinolinyl)oxy]-L-prolinamid [German] [ACD/IUPAC Name]
3-Méthyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-4-[(7-fluoro-4-méthoxy-1-isoquinoléinyl)oxy]-L-prolinamide [French] [ACD/IUPAC Name]
3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-4-[(7-fluoro-4-methoxy-1-isoquinolinyl)oxy]-L-prolinamide [ACD/IUPAC Name]
L-Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-L-valyl-N-[(1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]-4-[(7-fluoro-4-methoxy-1-isoquinolinyl)oxy]-, (4R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.606
Molar Refractivity: 185.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 16.16
ACD/KOC (pH 5.5): 137.27
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.64
ACD/KOC (pH 7.4): 13.96
Polar Surface Area: 191 Å2
Polarizability: 73.5±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 537.8±5.0 cm3

Click to predict properties on the Chemicalize site


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