ChemSpider 2D Image | (4R)-N-{(1R,2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-1-[(2S)-3,3-dimethyl-2-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}butanoyl]-4-[(2-ethoxy-8-methoxy-4-quinolinyl)oxy]-D-prolinamid e | C38H53N5O9S

(4R)-N-{(1R,2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-1-[(2S)-3,3-dimethyl-2-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}butanoyl]-4-[(2-ethoxy-8-methoxy-4-quinolinyl)oxy]-D-prolinamid e

  • Molecular FormulaC38H53N5O9S
  • Average mass755.920 Da
  • Monoisotopic mass755.356384 Da
  • ChemSpider ID9875269

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R)-N-{(1R,2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-1-[(2S)-3,3-dimethyl-2-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}butanoyl]-4-[(2-ethoxy-8-methoxy-4-chinolinyl)oxy]-D-prolinamid [German] [ACD/IUPAC Name]
(4R)-N-{(1R,2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-1-[(2S)-3,3-diméthyl-2-{2-[(2-méthyl-2-propanyl)amino]-2-oxoéthyl}butanoyl]-4-[(2-éthoxy-8-méthoxy-4-quinoléinyl)oxy]-D-prolinami de [French] [ACD/IUPAC Name]
(4R)-N-{(1R,2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-1-[(2S)-3,3-dimethyl-2-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}butanoyl]-4-[(2-ethoxy-8-methoxy-4-quinolinyl)oxy]-D-prolinamid e [ACD/IUPAC Name]
1-Pyrrolidinebutanamide, 2-[[[(1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]amino]carbonyl]-N,β-bis(1,1-dimethylethyl)-4-[(2-ethoxy-8-methoxy-4-quinolinyl)oxy]-γ-oxo-, ( βS,2R,4R)- [ACD/Index Name]

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: 1.602
Molar Refractivity: 199.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 11.53
ACD/KOC (pH 5.5): 108.87
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.13
ACD/KOC (pH 7.4): 10.70
Polar Surface Area: 191 Å2
Polarizability: 79.0±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 581.1±5.0 cm3

Click to predict properties on the Chemicalize site


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