ChemSpider 2D Image | (1R,14E,18R,22R,29S)-N-[(1R,2R)-2-(Difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-13,13-difluoro-26-(2-methyl-2-propanyl)-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetraazapentac yclo[26.2.1.0~3,12~.0~5,10~.0~18,22~]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide | C38H46F4N6O9S

(1R,14E,18R,22R,29S)-N-[(1R,2R)-2-(Difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-13,13-difluoro-26-(2-methyl-2-propanyl)-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetraazapentac yclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide

  • Molecular FormulaC38H46F4N6O9S
  • Average mass838.865 Da
  • Monoisotopic mass838.298340 Da
  • ChemSpider ID82825496

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1R,14E,18R,22R,29S)-N-[(1R,2R)-2-(Difluormethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-13,13-difluor-26-(2-methyl-2-propanyl)-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetraazapentacyc ;lo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaen-29-carboxamid [German] [ACD/IUPAC Name]
(1R,14E,18R,22R,29S)-N-[(1R,2R)-2-(Difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-13,13-difluoro-26-(2-methyl-2-propanyl)-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetraazapentac ;yclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide [ACD/IUPAC Name]
(1R,14E,18R,22R,29S)-N-[(1R,2R)-2-(Difluorométhyl)-1-{[(1-méthylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-13,13-difluoro-26-(2-méthyl-2-propanyl)-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tétraazapentac ;yclo[26.2.1.03,12.05,10.018,22]héntriaconta-3,5,7,9,11,14-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-methylcyclopropyl)sulfonyl]amino]carbonyl]cyclopr opyl]-7-(1,1-dimethylethyl)-20,20-difluoro-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-5,8-dioxo-, (3aR,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: 15
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 3.02
ACD/KOC (pH 5.5): 39.01
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.70
Polar Surface Area: 204 Å2
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


Advertisement