ChemSpider 2D Image | N-[(5-{[Butyl(2-cyclohexylethyl)amino]methyl}-2'-methyl-2-biphenylyl)carbonyl]-L-methionine | C32H46N2O3S

N-[(5-{[Butyl(2-cyclohexylethyl)amino]methyl}-2'-methyl-2-biphenylyl)carbonyl]-L-methionine

  • Molecular FormulaC32H46N2O3S
  • Average mass538.784 Da
  • Monoisotopic mass538.322937 Da
  • ChemSpider ID394444

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{(5-{[butyl-(2-Cyclohexyl-Ethyl)-Amino]-Methyl}-2'-Methyl-Biphenyl-2-Carbonyl)-Amino]-4-Methylsulfanyl-Butyric Acid
L-Methionine, N-[[5-[[butyl(2-cyclohexylethyl)amino]methyl]-2'-methyl[1,1'-biphenyl]-2-yl]carbonyl]- [ACD/Index Name]
N-[(5-{[Butyl(2-cyclohexylethyl)amino]methyl}-2'-methyl-2-biphenylyl)carbonyl]-L-methionin [German] [ACD/IUPAC Name]
N-[(5-{[Butyl(2-cyclohexylethyl)amino]methyl}-2'-methyl-2-biphenylyl)carbonyl]-L-methionine [ACD/IUPAC Name]
N-[(5-{[Butyl(2-cyclohexyléthyl)amino]méthyl}-2'-méthyl-2-biphénylyl)carbonyl]-L-méthionine [French] [ACD/IUPAC Name]
(2S)-2-[[4-[[Butyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
216234-25-2 [RN]
A 228839
ABT-839
Tin [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 680.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 365.6±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 159.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.10
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 552.45
ACD/KOC (pH 5.5): 621.62
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 517.74
ACD/KOC (pH 7.4): 582.56
Polar Surface Area: 95 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 491.4±3.0 cm3

Click to predict properties on the Chemicalize site


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