ChemSpider 2D Image | (1R,2R)-2-Fluorocyclopentyl [(2R,6S,12E,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)-2-quinoxalinyl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a ,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | C38H46F4N6O9S

(1R,2R)-2-Fluorocyclopentyl [(2R,6S,12E,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)-2-quinoxalinyl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a ,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate

  • Molecular FormulaC38H46F4N6O9S
  • Average mass838.865 Da
  • Monoisotopic mass838.298340 Da
  • ChemSpider ID129222857

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2R)-2-Fluorcyclopentyl-[(2R,6S,12E,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluormethyl)-2-chinoxalinyl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,1 5,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamat [German] [ACD/IUPAC Name]
(1R,2R)-2-Fluorocyclopentyl [(2R,6S,12E,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)-2-quinoxalinyl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a ,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate [ACD/IUPAC Name]
[(2R,6S,12E,13aS,14aR,16aS)-2-{[6-Méthoxy-3-(trifluorométhyl)-2-quinoxalinyl]oxy}-14a-{[(1-méthylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadécahydrocycl opropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadécin-6-yl]carbamate de (1R,2R)-2-fluorocyclopentyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(2R,6S,12E,13aS,14aR,16aS)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-2-[[6-methoxy-3-(trifluoromethyl)-2-quinoxalinyl]oxy]-14a-[[[(1-methylcyclopropyl)sulfonyl]amino]c arbonyl]-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]-, (1R,2R)-2-fluorocyclopentyl ester [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: 1.612
Molar Refractivity: 198.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 37.44
ACD/KOC (pH 5.5): 248.74
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 3.86
ACD/KOC (pH 7.4): 25.67
Polar Surface Area: 204 Å2
Polarizability: 78.6±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 570.0±5.0 cm3

Click to predict properties on the Chemicalize site


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