ChemSpider 2D Image | N-{1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-16,16-dimethyl-21-(2-methyl-2-propanyl)-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.1~4,7~.0~6,11~]heptacosa-6,8,10-triene-24-ca rboxamide | C38H53N5O9S

N-{1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-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]heptacosa-6,8,10-triene-24-ca rboxamide

  • Molecular FormulaC38H53N5O9S
  • Average mass755.920 Da
  • Monoisotopic mass755.356384 Da
  • ChemSpider ID24651717

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3H,5H-2,23:5,8-Dimethano-1H-4,13,2,8,11-benzodioxatriazacycloheneicosine-7-carboxamide, N-[1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]-10-(1,1-dimethylethyl)-6,7,9,10,11,12,14,15,16 ,17,18,19-dodecahydro-15,15-dimethyl-3,9,12-trioxo- [ACD/Index Name]
923590-41-4 [RN]
N-{1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-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]heptacosa-6,8,10-trien-24-car 
boxamid [German] [ACD/IUPAC Name]
N-{1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-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]heptacosa-6,8,10-triene-24-ca 
rboxamide [ACD/IUPAC Name]
N-{1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-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]heptacosa-6,8,10-triène-24-ca 
rboxamide [French] [ACD/IUPAC Name]
Vaniprevir [INN] [USAN]

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

MK-7009 [DBID]

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: 1.613
Molar Refractivity: 196.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 32.40
ACD/KOC (pH 5.5): 228.19
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 3.18
ACD/KOC (pH 7.4): 22.40
Polar Surface Area: 189 Å2
Polarizability: 77.7±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 563.3±5.0 cm3

Click to predict properties on the Chemicalize site


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