Found 169 results

Search term: MF = 'C_{32}H_{46}N_{2}O_{4}'
ChemSpider 2D Image | (2S,4R)-2-Butyl-6-(2',6'-dimethyl-4-biphenylyl)-4-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}hexanoic acid | C32H46N2O4

(2S,4R)-2-Butyl-6-(2',6'-dimethyl-4-biphenylyl)-4-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}hexanoic acid

  • Molecular FormulaC32H46N2O4
  • Average mass522.719 Da
  • Monoisotopic mass522.345764 Da
  • ChemSpider ID9015060

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,4R)-2-Butyl-6-(2',6'-dimethyl-4-biphenylyl)-4-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}hexanoic acid [ACD/IUPAC Name]
(2S,4R)-2-Butyl-6-(2',6'-dimethyl-4-biphenylyl)-4-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}hexansäure [German] [ACD/IUPAC Name]
[1,1'-Biphenyl]-4-hexanoic acid, α-butyl-γ-[[[(1S)-2,2-dimethyl-1-[(methylamino)carbonyl]propyl]amino]carbonyl]-2',6'-dimethyl-, (αS,γR)- [ACD/Index Name]
Acide (2S,4R)-2-butyl-6-(2',6'-diméthyl-4-biphénylyl)-4-{[(2S)-3,3-diméthyl-1-(méthylamino)-1-oxo-2-butanyl]carbamoyl}hexanoïque [French] [ACD/IUPAC Name]
(2S,4R)-2-Butyl-6-(2',6'-dimethyl-biphenyl-4-yl)-4-((S)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-hexanoic acid
(2S,4R)-2-butyl-6-(2',6'-dimethylbiphenyl-4-yl)-4-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl}hexanoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL267452/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 735.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 398.9±32.9 °C
Index of Refraction: 1.534
Molar Refractivity: 152.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 3316.33
ACD/KOC (pH 5.5): 6069.01
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 52.11
ACD/KOC (pH 7.4): 95.36
Polar Surface Area: 96 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 491.9±3.0 cm3

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