ChemSpider 2D Image | (1R,18S,20R,24S,27S,28R)-N-[(1R,2S)-2-(Difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-28-ethyl-13,13-difluoro-7-methoxy-24-(2-methyl-2-propanyl)-22,25-dioxo-2,21-dioxa-4,11,2 3,26-tetraazapentacyclo[24.2.1.0~3,12~.0~5,10~.0~18,20~]nonacosa-3,5,7,9,11-pentaene-27-carboxamide | C40H52F4N6O9S

(1R,18S,20R,24S,27S,28R)-N-[(1R,2S)-2-(Difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-28-ethyl-13,13-difluoro-7-methoxy-24-(2-methyl-2-propanyl)-22,25-dioxo-2,21-dioxa-4,11,2 3,26-tetraazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaene-27-carboxamide

  • Molecular FormulaC40H52F4N6O9S
  • Average mass868.934 Da
  • Monoisotopic mass868.345276 Da
  • ChemSpider ID114642229

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,18S,20R,24S,27S,28R)-N-[(1R,2S)-2-(Difluormethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-28-ethyl-13,13-difluor-7-methoxy-24-(2-methyl-2-propanyl)-22,25-dioxo-2,21-dioxa-4,11,23, ;26-tetraazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-carboxamid [German] [ACD/IUPAC Name]
(1R,18S,20R,24S,27S,28R)-N-[(1R,2S)-2-(Difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-28-ethyl-13,13-difluoro-7-methoxy-24-(2-methyl-2-propanyl)-22,25-dioxo-2,21-dioxa-4,11,2 ;3,26-tetraazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaene-27-carboxamide [ACD/IUPAC Name]
(1R,18S,20R,24S,27S,28R)-N-[(1R,2S)-2-(Difluorométhyl)-1-{[(1-méthylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-28-éthyl-13,13-difluoro-7-méthoxy-24-(2-méthyl-2-propanyl)-22,25-dioxo-2,21-dioxa-4,11,2 ;3,26-tétraazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaène-27-carboxamide [French] [ACD/IUPAC Name]
8H-7,10-Methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, N-[(1R,2S)-2-(difluoromethyl)-1-[[[(1-methylcyclopropyl)sulfonyl]amino]carbonyl]cyclopropyl]-5-(1 ,1-dimethylethyl)-9-ethyl-18,18-difluoro-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-methoxy-3,6-dioxo-, (1aR,5S,8S,9R,10R,22aS)- [ACD/Index Name]

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: 1.596
Molar Refractivity: 207.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 75.53
ACD/KOC (pH 5.5): 390.52
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 9.11
ACD/KOC (pH 7.4): 47.09
Polar Surface Area: 204 Å2
Polarizability: 82.3±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 610.3±5.0 cm3

Click to predict properties on the Chemicalize site


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