ChemSpider 2D Image | (3S)-1-(Carboxymethyl)-N-[(2S)-1-ethoxy-1-oxo-4-phenyl-2-butanyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-aminium | C24H29N2O5

(3S)-1-(Carboxymethyl)-N-[(2S)-1-ethoxy-1-oxo-4-phenyl-2-butanyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-aminium

  • Molecular FormulaC24H29N2O5
  • Average mass425.497 Da
  • Monoisotopic mass425.207092 Da
  • ChemSpider ID21258699

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-1-(Carboxymethyl)-N-[(2S)-1-ethoxy-1-oxo-4-phenyl-2-butanyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-aminium [ACD/IUPAC Name]
(3S)-1-(Carboxymethyl)-N-[(2S)-1-ethoxy-1-oxo-4-phenyl-2-butanyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-aminium [German] [ACD/IUPAC Name]
(3S)-1-(Carboxyméthyl)-N-[(2S)-1-éthoxy-1-oxo-4-phényl-2-butanyl]-2-oxo-2,3,4,5-tétrahydro-1H-1-benzazépin-3-aminium [French] [ACD/IUPAC Name]
1H-1-Benzazepine-1-acetic acid, 3-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, conjugate monoacid, (3S)- [ACD/Index Name]
(3S)-1-(carboxymethyl)-N-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-aminium
benazepril(1+)
  • Miscellaneous

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

Density:
Boiling Point: 691.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 371.8±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.29
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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