ChemSpider 2D Image | Beclabuvir | C36H45N5O5S

Beclabuvir

  • Molecular FormulaC36H45N5O5S
  • Average mass659.838 Da
  • Monoisotopic mass659.314148 Da
  • ChemSpider ID27289076
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1aR,12bS)-8-Cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepin-5-carboxamid [German] [ACD/IUPAC Name]
(1aR,12bS)-8-Cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide [ACD/IUPAC Name]
(1aR,12bS)-8-Cyclohexyl-N-(diméthylsulfamoyl)-11-méthoxy-1a-{[(1R,5S)-3-méthyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tétrahydrocyclopropa[d]indolo[2,1-a][2]benzazépine-5-carboxamide [French] [ACD/IUPAC Name]
958002-33-0 [RN]
9899
beclabuvir [Spanish] [INN]
Beclabuvir [INN] [USAN]
béclabuvir [French] [INN]
beclabuvirum [Latin] [INN]
BMS-791325
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.722
Molar Refractivity: 179.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 5.84
ACD/KOC (pH 5.5): 26.59
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 10.14
ACD/KOC (pH 7.4): 46.13
Polar Surface Area: 113 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 453.8±7.0 cm3

Click to predict properties on the Chemicalize site





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