ChemSpider 2D Image | Vaniprevir | C38H55N5O9S

Vaniprevir

  • Molecular FormulaC38H55N5O9S
  • Average mass757.936 Da
  • Monoisotopic mass757.372070 Da
  • ChemSpider ID28475381
  • defined stereocentres - 5 of 5 defined stereocentres


More details:



Featured data source



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

(1R,21S,24S)-N-{(1R,2R)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-16,16-dimethyl-21-(2-methyl-2-propanyl)-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacos a-6,8,10-trien-24-carboxamid [German] [ACD/IUPAC Name]
(1R,21S,24S)-N-{(1R,2R)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-16,16-dimethyl-21-(2-methyl-2-propanyl)-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacos a-6,8,10-triene-24-carboxamide [ACD/IUPAC Name]
(1R,21S,24S)-N-{(1R,2R)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-éthylcyclopropyl}-16,16-diméthyl-21-(2-méthyl-2-propanyl)-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatétracyclo[21.2.1.14,7.06,11]heptacos a-6,8,10-triène-24-carboxamide [French] [ACD/IUPAC Name]
3H,5H-2,23:5,8-Dimethano-1H-4,13,2,8,11-benzodioxatriazacycloheneicosine-7-carboxamide, N-[(1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl]-10-(1,1-dimethylethyl)-6,7,9,10,11,12,14 ,15,16,17,18,19-dodecahydro-15,15-dimethyl-3,9,12-trioxo-, (5R,7S,10S)- [ACD/Index Name]
923590-37-8 [RN]
CV3X74AO1H
Vaniprevir [INN] [USAN]
Vaniprevir [Spanish] [INN]
Vaniprévir [French] [INN]
Vaniprevirum [INN]
More...

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

9219 [DBID]
MK-7009 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Anti-infection MedChem Express HY-10243
      Anti-infection; Metabolism/Protease; MedChem Express HY-10243
      HCV MedChem Express HY-10243
      HCV HCV NS3/4A Protease MedChem Express HY-10243
      Vaniprevir (MK-7009) is a non-covalent competitive inhibitor of the hepatitis C virus (HCV) NS3/4A protease.; IC50 Value: ; Target: HCV NS3/4A Protease; HCV; vaniprevir (MK-7009) is a macrocyclic hepatitis C virus NS3/4a protease inhibitor, is active against both the genotype 1 and genotype 2 NS3/4a protease enzymes. MedChem Express HY-10243
      Vaniprevir (MK-7009) is a non-covalent competitive inhibitor of the hepatitis C virus (HCV) NS3/4A protease.;IC50 Value: ;Target: HCV NS3/4A Protease; HCVvaniprevir (MK-7009) is a macrocyclic hepatitis C virus NS3/4a protease inhibitor, is active against both the genotype 1 and genotype 2 NS3/4a protease enzymes. vaniprevir (MK-7009) has good plasma exposure and excellent liver exposure in multiple species. MedChem Express HY-10243

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.607
Molar Refractivity: 196.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 58.85
ACD/KOC (pH 5.5): 366.70
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 5.04
ACD/KOC (pH 7.4): 31.40
Polar Surface Area: 189 Å2
Polarizability: 77.8±0.5 10-24cm3
Surface Tension: 62.5±5.0 dyne/cm
Molar Volume: 568.0±5.0 cm3

Click to predict properties on the Chemicalize site






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