ChemSpider 2D Image | (4S)-N-{(2R)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-1-{(2R)-3,3-dimethyl-2-[2-oxo-2-(1-piperidinyl)ethyl]butanoyl}-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]prolinamide | C43H53N5O8S

(4S)-N-{(2R)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-1-{(2R)-3,3-dimethyl-2-[2-oxo-2-(1-piperidinyl)ethyl]butanoyl}-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]prolinamide

  • Molecular FormulaC43H53N5O8S
  • Average mass799.975 Da
  • Monoisotopic mass799.361511 Da
  • ChemSpider ID68025403

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(4S)-N-{(2R)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-1-{(2R)-3,3-dimethyl-2-[2-oxo-2-(1-piperidinyl)ethyl]butanoyl}-4-[(7-methoxy-2-phenyl-4-chinolinyl)oxy]prolinamid [German] [ACD/IUPAC Name]
(4S)-N-{(2R)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-1-{(2R)-3,3-diméthyl-2-[2-oxo-2-(1-pipéridinyl)éthyl]butanoyl}-4-[(7-méthoxy-2-phényl-4-quinoléinyl)oxy]prolinamide [French] [ACD/IUPAC Name]
(4S)-N-{(2R)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-1-{(2R)-3,3-dimethyl-2-[2-oxo-2-(1-piperidinyl)ethyl]butanoyl}-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]prolinamide [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-[(2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]-1-[(2R)-3,3-dimethyl-1-oxo-2-[2-oxo-2-(1-piperidinyl)ethyl]butyl]-4-[(7-methoxy-2-phenyl-4-quinolinyl)o xy]-, (4S)- [ACD/Index Name]
Sovaprevir [INN] [USAN]

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: 1.643
Molar Refractivity: 215.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 30.34
ACD/KOC (pH 5.5): 140.18
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 13.51
ACD/KOC (pH 7.4): 62.43
Polar Surface Area: 173 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 596.6±5.0 cm3

Click to predict properties on the Chemicalize site


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