ChemSpider 2D Image | 4-[(4-Bromo-2-{[(3R,5S)-3,5-dimethyl-1-piperidinyl]carbonyl}phenyl)amino]-4-oxobutanoic acid | C18H23BrN2O4

4-[(4-Bromo-2-{[(3R,5S)-3,5-dimethyl-1-piperidinyl]carbonyl}phenyl)amino]-4-oxobutanoic acid

  • Molecular FormulaC18H23BrN2O4
  • Average mass411.290 Da
  • Monoisotopic mass410.084106 Da
  • ChemSpider ID23315495

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-[(4-Brom-2-{[(3R,5S)-3,5-dimethyl-1-piperidinyl]carbonyl}phenyl)amino]-4-oxobutansäure [German] [ACD/IUPAC Name]
4-[(4-Bromo-2-{[(3R,5S)-3,5-dimethyl-1-piperidinyl]carbonyl}phenyl)amino]-4-oxobutanoic acid [ACD/IUPAC Name]
4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid
Acide 4-[(4-bromo-2-{[(3R,5S)-3,5-diméthyl-1-pipéridinyl]carbonyl}phényl)amino]-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[4-bromo-2-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]carbonyl]phenyl]amino]-4-oxo- [ACD/Index Name]
3-({4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl}carbamoyl)propanoic acid
3-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)carbamoyl]propanoic acid
4-(4-bromo-2-((3R,5S)-3,5-dimethylpiperidine-1-carbonyl)phenylamino)-4-oxobutanoic acid
SX5

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

Density: 1.4±0.1 g/cm3
Boiling Point: 631.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 335.8±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 98.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 9.03
ACD/KOC (pH 5.5): 80.65
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.28
Polar Surface Area: 87 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 291.4±3.0 cm3

Click to predict properties on the Chemicalize site


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