ChemSpider 2D Image | Furaprevir | C47H56N6O10S

Furaprevir

  • Molecular FormulaC47H56N6O10S
  • Average mass897.047 Da
  • Monoisotopic mass896.377869 Da
  • ChemSpider ID34500835

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(2R,6S,12Z,13aS,14aR,16aS)-2-{[2-(4-Isopropoxyphényl)[1]benzofuro[3,2-d]pyrimidin-4-yl]oxy}-14a-{[(1-méthylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadé cahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadécin-6-yl]carbamate de cyclopentyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(2R,6S,12Z,13aS,14aR,16aS)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-14a-[[[(1-methylcyclopropyl)sulfonyl]amino]carbonyl]-2-[[2-[4-(1-methylethoxy)phenyl]benzofuro[3,2 -d]pyrimidin-4-yl]oxy]-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]-, cyclopentyl ester [ACD/Index Name]
Cyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[2-(4-isopropoxyphenyl)[1]benzofuro[3,2-d]pyrimidin-4-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,1 6,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate [ACD/IUPAC Name]
Cyclopentyl-[(2R,6S,12Z,13aS,14aR,16aS)-2-{[2-(4-isopropoxyphenyl)[1]benzofuro[3,2-d]pyrimidin-4-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,1 6,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamat [German] [ACD/IUPAC Name]
furaprevir [Spanish] [INN]
Furaprevir [INN]
furaprévir [French] [INN]
furaprevirum [Latin] [INN]
фурапревир [Russian] [INN]
فورابريفير [Arabic] [INN]
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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: 1.664
Molar Refractivity: 237.1±0.4 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 465.60
ACD/KOC (pH 5.5): 1513.12
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 47.87
ACD/KOC (pH 7.4): 155.56
Polar Surface Area: 217 Å2
Polarizability: 94.0±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 639.0±5.0 cm3

Click to predict properties on the Chemicalize site


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