ChemSpider 2D Image | Benazepril Free base | C24H28N2O5

Benazepril Free base

  • Molecular FormulaC24H28N2O5
  • Average mass424.490 Da
  • Monoisotopic mass424.199829 Da
  • ChemSpider ID23089088

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(3R)-3-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid [ACD/IUPAC Name]
[(3R)-3-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]essigsäure [German] [ACD/IUPAC Name]
[(3R)-3-{[(2S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid
131064-74-9 [RN]
1H-1-Benzazepine-1-acetic acid, 3-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, (3R)- [ACD/Index Name]
Acide [(3R)-3-{[(2S)-1-éthoxy-1-oxo-4-phényl-2-butanyl]amino}-2-oxo-2,3,4,5-tétrahydro-1H-1-benzazépin-1-yl]acétique [French] [ACD/IUPAC Name]
Benazepril Free base
((3RS)-3-(((1SR)-1-(Ethoxycarbonyl)-3-phenylpropyl)amino)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic-acid
1H-1-Benzazepine-1-aceticacid, 3-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-,[R-(R*,S*)]- (9CI)
86541-75-5 [RN]
More...

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

15B0UK1949 [DBID]
CGP-42454A [DBID]
UNII:15B0UK1949 [DBID]

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

Density: 1.3±0.1 g/cm3
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: 1.608
Molar Refractivity: 116.1±0.4 cm3
#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: 96 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 335.8±5.0 cm3

Click to predict properties on the Chemicalize site


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