ChemSpider 2D Image | Brecanavir | C33H41N3O10S2

Brecanavir

  • Molecular FormulaC33H41N3O10S2
  • Average mass703.823 Da
  • Monoisotopic mass703.223328 Da
  • ChemSpider ID4675192

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-butanyl]carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-4-[(1,3-Benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-{4-[(2-méthyl-1,3-thiazol-4-yl)méthoxy]phényl}-2-butanyl]carbamate de (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
313682-08-5 [RN]
Brecanavir [USAN] [Wiki]
Carbamic acid, N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-[[4-[(2-methyl-4-thiazolyl)methoxy]phenyl]methyl]propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl est er [ACD/Index Name]
E367I8C7FI
(3R,3aS,6aR)-hexahydrofuro(2,3-b)furan-3-yl ((1S,2R)-3-((1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(4-((2-methylthiazol-4-yl)methoxy)benzyl)propyl)carbamate
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-3-hydroxy-4-(N-isobutylbenzo[d][1,3]dioxole-5-sulfonamido)-1-(4-((2-methylthiazol-4-yl)methoxy)phenyl)butan-2-yl)carbamate
(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-2-HYDROXY-1-{4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZYL}PROPYL]CARBAMATE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8705 [DBID]
GW64085X [DBID]
385 [DBID]
AIDS223868 [DBID]
AIDS-223868 [DBID]
D03253 [DBID]
VX-385 [DBID]

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: 1.642
Molar Refractivity: 177.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1093.75
ACD/KOC (pH 5.5): 5209.88
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1093.77
ACD/KOC (pH 7.4): 5209.99
Polar Surface Area: 192 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 492.0±5.0 cm3

Click to predict properties on the Chemicalize site


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