ChemSpider 2D Image | 2-[(4-{(2R)-2-[4'-(2-Methyl-2-propanyl)-4-biphenylyl]-3-oxo-3-[(2',4',6'-trimethyl-4-biphenylyl)amino]propyl}benzoyl)amino]ethanesulfonic acid | C43H46N2O5S

2-[(4-{(2R)-2-[4'-(2-Methyl-2-propanyl)-4-biphenylyl]-3-oxo-3-[(2',4',6'-trimethyl-4-biphenylyl)amino]propyl}benzoyl)amino]ethanesulfonic acid

  • Molecular FormulaC43H46N2O5S
  • Average mass702.901 Da
  • Monoisotopic mass702.312744 Da
  • ChemSpider ID58789988

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1207989-09-0 [RN]
2-[(4-{(2R)-2-[4'-(2-Methyl-2-propanyl)-4-biphenylyl]-3-oxo-3-[(2',4',6'-trimethyl-4-biphenylyl)amino]propyl}benzoyl)amino]ethanesulfonic acid [ACD/IUPAC Name]
2-[(4-{(2R)-2-[4'-(2-Methyl-2-propanyl)-4-biphenylyl]-3-oxo-3-[(2',4',6'-trimethyl-4-biphenylyl)amino]propyl}benzoyl)amino]ethansulfonsäure [German] [ACD/IUPAC Name]
Acide 2-[(4-{(2R)-2-[4'-(2-méthyl-2-propanyl)-4-biphénylyl]-3-oxo-3-[(2',4',6'-triméthyl-4-biphénylyl)amino]propyl}benzoyl)amino]éthanesulfonique [French] [ACD/IUPAC Name]
Ethanesulfonic acid, 2-[[4-[(2R)-2-[4'-(1,1-dimethylethyl)[1,1'-biphenyl]-4-yl]-3-oxo-3-[(2',4',6'-trimethyl[1,1'-biphenyl]-4-yl)amino]propyl]benzoyl]amino]- [ACD/Index Name]
(R)-2-(4-(2-(4'-(tert-butyl)-[1,1'-biphenyl]-4-yl)-3-oxo-3-((2',4',6'-trimethyl-[1,1'-biphenyl]-4-yl)amino)propyl)benzamido)ethane-1-sulfonic acid
(R)-2-(4-(2-(4'-(tert-butyl)-[1,1'-biphenyl]-4-yl)-3-oxo-3-((2',4',6'-trimethyl-[1,1'-biphenyl]-4-yl)amino)propyl)benzamido)ethanesulfonic acid
(R)-2-(4-(2-(4`-(tert-butyl)-[1,1`-biphenyl]-4-yl)-3-oxo-3-((2`,4`,6`-trimethyl-[1,1`-biphenyl]-4-yl)amino)propyl)benzamido)ethane-1-sulfonic acid
1207989-09-0 (free)
2-[[4-[(2R)-2-[4-(4-tert-butylphenyl)phenyl]-3-oxo-3-[4-(2,4,6-trimethylphenyl)anilino]propyl]benzoyl]amino]ethanesulfonic acid
More...

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

6IJ842I0Z2 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.616
    Molar Refractivity: 203.6±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 8.45
    ACD/LogD (pH 5.5): 3.16
    ACD/BCF (pH 5.5): 22.30
    ACD/KOC (pH 5.5): 33.89
    ACD/LogD (pH 7.4): 3.10
    ACD/BCF (pH 7.4): 19.29
    ACD/KOC (pH 7.4): 29.32
    Polar Surface Area: 121 Å2
    Polarizability: 80.7±0.5 10-24cm3
    Surface Tension: 50.6±3.0 dyne/cm
    Molar Volume: 582.6±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement