ChemSpider 2D Image | N-[(Cyclopentyloxy)carbonyl]-3-methylvalyl-(4S)-4-({8-bromo-2-[2-(isobutyrylamino)-1,3-thiazol-4-yl]-7-methoxy-4-quinolinyl}oxy)-N-[(2R)-1-carboxy-2-vinylcyclopropyl]prolinamide | C40H49BrN6O9S

N-[(Cyclopentyloxy)carbonyl]-3-methylvalyl-(4S)-4-({8-bromo-2-[2-(isobutyrylamino)-1,3-thiazol-4-yl]-7-methoxy-4-quinolinyl}oxy)-N-[(2R)-1-carboxy-2-vinylcyclopropyl]prolinamide

  • Molecular FormulaC40H49BrN6O9S
  • Average mass869.821 Da
  • Monoisotopic mass868.246521 Da
  • ChemSpider ID71360828

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

N-[(Cyclopentyloxy)carbonyl]-3-methylvalyl-(4S)-4-({8-brom-2-[2-(isobutyrylamino)-1,3-thiazol-4-yl]-7-methoxy-4-chinolinyl}oxy)-N-[(2R)-1-carboxy-2-vinylcyclopropyl]prolinamid [German] [ACD/IUPAC Name]
N-[(Cyclopentyloxy)carbonyl]-3-méthylvalyl-(4S)-4-({8-bromo-2-[2-(isobutyrylamino)-1,3-thiazol-4-yl]-7-méthoxy-4-quinoléinyl}oxy)-N-[(2R)-1-carboxy-2-vinylcyclopropyl]prolinamide [French] [ACD/IUPAC Name]
N-[(Cyclopentyloxy)carbonyl]-3-methylvalyl-(4S)-4-({8-bromo-2-[2-(isobutyrylamino)-1,3-thiazol-4-yl]-7-methoxy-4-quinolinyl}oxy)-N-[(2R)-1-carboxy-2-vinylcyclopropyl]prolinamide [ACD/IUPAC Name]
Prolinamide, N-[(cyclopentyloxy)carbonyl]-3-methylvalyl-4-[[8-bromo-7-methoxy-2-[2-[(2-methyl-1-oxopropyl)amino]-4-thiazolyl]-4-quinolinyl]oxy]-N-[(2R)-1-carboxy-2-ethenylcyclopropyl]-, (4S)- [ACD/Index Name]
801283-95-4 [RN]
Faldaprevir [INN] [USAN] [Wiki]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 215.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 171.46
ACD/KOC (pH 5.5): 624.50
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 2.76
ACD/KOC (pH 7.4): 10.04
Polar Surface Area: 227 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 70.8±5.0 dyne/cm
Molar Volume: 593.7±5.0 cm3

Click to predict properties on the Chemicalize site


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