ChemSpider 2D Image | (1R,14E,18R,22R,26S,29S)-N-[(1R,2R)-2-(Difluoromethyl)-1-({[1-(~13~C,~2~H_3_)methylcyclopropyl]sulfonyl}carbamoyl)cyclopropyl]-13,13-difluoro-26-(2-methyl-2-propanyl)-24,27-dioxo-2,17,23-trioxa-4,11,2 5,28-tetraazapentacyclo[26.2.1.0~3,12~.0~5,10~.0~18,22~]hentriaconta-3,5(10),6,8,11,14-hexaene-29-carboxamide | C3713CH43D3F4N6O9S

(1R,14E,18R,22R,26S,29S)-N-[(1R,2R)-2-(Difluoromethyl)-1-({[1-(13C,2H3)methylcyclopropyl]sulfonyl}carbamoyl)cyclopropyl]-13,13-difluoro-26-(2-methyl-2-propanyl)-24,27-dioxo-2,17,23-trioxa-4,11,2 5,28-tetraazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11,14-hexaene-29-carboxamide

  • Molecular FormulaC3713CH43D3F4N6O9S
  • Average mass842.876 Da
  • Monoisotopic mass842.320496 Da
  • ChemSpider ID107449093

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,14E,18R,22R,26S,29S)-N-[(1R,2R)-2-(Difluormethyl)-1-({[1-(13C,2H3)methylcyclopropyl]sulfonyl}carbamoyl)cyclopropyl]-13,13-difluor-26-(2-methyl-2-propanyl)-24,27-dioxo-2,17,23-trioxa-4,11,25, 
28-tetraazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11,14-hexaen-29-carboxamid [German] [ACD/IUPAC Name]
(1R,14E,18R,22R,26S,29S)-N-[(1R,2R)-2-(Difluoromethyl)-1-({[1-(13C,2H3)methylcyclopropyl]sulfonyl}carbamoyl)cyclopropyl]-13,13-difluoro-26-(2-methyl-2-propanyl)-24,27-dioxo-2,17,23-trioxa-4,11,2 ;5,28-tetraazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11,14-hexaene-29-carboxamide [ACD/IUPAC Name]
(1R,14E,18R,22R,26S,29S)-N-[(1R,2R)-2-(Difluorométhyl)-1-({[1-(13C,2H3)méthylcyclopropyl]sulfonyl}carbamoyl)cyclopropyl]-13,13-difluoro-26-(2-méthyl-2-propanyl)-24,27-dioxo-2,17,23-trioxa-4,11,2 ;5,28-tétraazapentacyclo[26.2.1.03,12.05,10.018,22]héntriaconta-3,5(10),6,8,11,14-hexaène-29-carboxamide [French] [ACD/IUPAC Name]
10H-9,12-Methano-1H-cyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, N-[(1R,2R)-2-(difluoromethyl)-1-[[[[1-(methyl-13C-d3)cyclopropyl]sulfonyl]amino]car 
bonyl]cyclopropyl]-7-(1,1-dimethylethyl)-20,20-difluoro-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-5,8-dioxo-, (3aR,7S,10S,12R,21E,24aR)- [ACD/Index Name]

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: 1.610
Molar Refractivity: 198.2±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 78.6±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 571.5±5.0 cm3

Click to predict properties on the Chemicalize site


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