ChemSpider 2D Image | EPI-CARBOXY EPI-ETHOXYCARBONYL QUINAPRIL | C25H30N2O5

EPI-CARBOXY EPI-ETHOXYCARBONYL QUINAPRIL

  • Molecular FormulaC25H30N2O5
  • Average mass438.516 Da
  • Monoisotopic mass438.215485 Da
  • ChemSpider ID32699416

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R)-2-{N-[(2R)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1,2,3,4-tetrahydro-3-isochinolincarbonsäure [German] [ACD/IUPAC Name]
(3R)-2-{N-[(2R)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid [ACD/IUPAC Name]
3-Isoquinolinecarboxylic acid, 2-[(2S)-2-[[(1R)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-, (3R)- [ACD/Index Name]
Acide (3R)-2-{N-[(2R)-1-éthoxy-1-oxo-4-phényl-2-butanyl]-L-alanyl}-1,2,3,4-tétrahydro-3-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
EPI-CARBOXY EPI-ETHOXYCARBONYL QUINAPRIL

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

DT6439JT7B [DBID]
UNII:DT6439JT7B [DBID]
UNII-DT6439JT7B [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 662.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 354.1±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 119.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 11.53
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 360.1±3.0 cm3

Click to predict properties on the Chemicalize site


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