ChemSpider 2D Image | 3'-Amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydro-2-quinolinyl]-2-biphenylcarboxylic acid | C29H26N4O2

3'-Amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydro-2-quinolinyl]-2-biphenylcarboxylic acid

  • Molecular FormulaC29H26N4O2
  • Average mass462.542 Da
  • Monoisotopic mass462.205566 Da
  • ChemSpider ID31130170
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

[1,1'-Biphenyl]-2-carboxylic acid, 3'-amino-5'-[(2S,4R)-6-(aminoiminomethyl)-1,2,3,4-tetrahydro-4-phenyl-2-quinolinyl]- [ACD/Index Name]
3'-Amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydro-2-chinolinyl]-2-biphenylcarbonsäure [German] [ACD/IUPAC Name]
3'-Amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydro-2-quinolinyl]-2-biphenylcarboxylic acid [ACD/IUPAC Name]
3'-Amino-5'-[(2s,4r)-6-Carbamimidoyl-4-Phenyl-1,2,3,4-Tetrahydroquinolin-2-Yl]biphenyl-2-Carboxylic Acid
Acide 3'-amino-5'-[(2S,4R)-6-carbamimidoyl-4-phényl-1,2,3,4-tétrahydro-2-quinoléinyl]-2-biphénylcarboxylique [French] [ACD/IUPAC Name]
10.1021/jm401670x
1T7

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 701.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 377.9±35.7 °C
Index of Refraction: 1.702
Molar Refractivity: 134.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 2.17
ACD/KOC (pH 5.5): 12.14
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 1.98
ACD/KOC (pH 7.4): 11.05
Polar Surface Area: 125 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 345.9±7.0 cm3

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