ChemSpider 2D Image | (4R)-3-{N-[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1-methyl-2-oxo-4-imidazolidinecarboxylic acid | C20H27N3O6

(4R)-3-{N-[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1-methyl-2-oxo-4-imidazolidinecarboxylic acid

  • Molecular FormulaC20H27N3O6
  • Average mass405.445 Da
  • Monoisotopic mass405.189972 Da
  • ChemSpider ID26944093

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4R)-3-{N-[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1-methyl-2-oxo-4-imidazolidincarbonsäure [German] [ACD/IUPAC Name]
(4R)-3-{N-[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1-methyl-2-oxo-4-imidazolidinecarboxylic acid [ACD/IUPAC Name]
4-Imidazolidinecarboxylic acid, 3-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1-methyl-2-oxo-, (4R)- [ACD/Index Name]
Acide (4R)-3-{N-[(2S)-1-éthoxy-1-oxo-4-phényl-2-butanyl]-L-alanyl}-1-méthyl-2-oxo-4-imidazolidinecarboxylique [French] [ACD/IUPAC Name]
(S)-3-(N-((S)-1-Ethoxycarbonyl-3-phenylpropyl)-L-alanyl)-1-methyl-2-oxoimidazoline-4-carboxylic acid
3-[(2S)-2-{[(2S)-1-ETHOXY-1-OXO-4-PHENYLBUTAN-2-YL]AMINO}PROPANOYL]-1-METHYL-2-OXOIMIDAZOLIDINE-4-CARBOXYLIC ACID
89371-37-9 [RN]
Imidapril [BAN] [INN] [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 577.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 302.8±32.9 °C
Index of Refraction: 1.559
Molar Refractivity: 103.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 320.1±3.0 cm3

Click to predict properties on the Chemicalize site


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