Found 11 results

Search term: HHHKFGXWKKUNCY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,9S)-9-{[(2R)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid | C22H31N3O5

(1S,9S)-9-{[(2R)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid

  • Molecular FormulaC22H31N3O5
  • Average mass417.499 Da
  • Monoisotopic mass417.226379 Da
  • ChemSpider ID57342557

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,9S)-9-{[(2R)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepin-1-carbonsäure [German] [ACD/IUPAC Name]
(1S,9S)-9-{[(2R)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid [ACD/IUPAC Name]
6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-[[(1R)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]octahydro-10-oxo-, (1S,9S)- [ACD/Index Name]
Acide (1S,9S)-9-{[(2R)-1-éthoxy-1-oxo-4-phényl-2-butanyl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazépine-1-carboxylique [French] [ACD/IUPAC Name]
(4S,7S)-7-(((R)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-6-oxooctahydro-1H-pyridazino[1,2-a][1,2]diazepine-4-carboxylic acid
106928-09-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 598.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 315.5±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 111.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 330.3±5.0 cm3

Click to predict properties on the Chemicalize site


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