ChemSpider 2D Image | 5-Aminocarbonyl-2-[3-[(2s,4r)-6-Carbamimidoyl-4-Methyl-4-Phenyl-2,3-Dihydro-1h-Quinolin-2-Yl]phenyl]benzoic Acid | C31H28N4O3

5-Aminocarbonyl-2-[3-[(2s,4r)-6-Carbamimidoyl-4-Methyl-4-Phenyl-2,3-Dihydro-1h-Quinolin-2-Yl]phenyl]benzoic Acid

  • Molecular FormulaC31H28N4O3
  • Average mass504.579 Da
  • Monoisotopic mass504.216156 Da
  • ChemSpider ID31130158

  • 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, 4-(aminocarbonyl)-3'-[(2S,4R)-6-(aminoiminomethyl)-1,2,3,4-tetrahydro-4-methyl-4-phenyl-2-quinolinyl]- [ACD/Index Name]
3'-[(2S,4R)-6-Carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydro-2-chinolinyl]-4-carbamoyl-2-biphenylcarbonsäure [German] [ACD/IUPAC Name]
3'-[(2S,4R)-6-Carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydro-2-quinolinyl]-4-carbamoyl-2-biphenylcarboxylic acid [ACD/IUPAC Name]
5-Aminocarbonyl-2-[3-[(2s,4r)-6-Carbamimidoyl-4-Methyl-4-Phenyl-2,3-Dihydro-1h-Quinolin-2-Yl]phenyl]benzoic Acid
Acide 3'-[(2S,4R)-6-carbamimidoyl-4-méthyl-4-phényl-1,2,3,4-tétrahydro-2-quinoléinyl]-4-carbamoyl-2-biphénylcarboxylique [French] [ACD/IUPAC Name]
1T6

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

Density: 1.3±0.1 g/cm3
Boiling Point: 719.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 389.1±35.7 °C
Index of Refraction: 1.685
Molar Refractivity: 144.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 4.39
ACD/KOC (pH 5.5): 19.66
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 4.29
ACD/KOC (pH 7.4): 19.23
Polar Surface Area: 142 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 379.7±7.0 cm3

Click to predict properties on the Chemicalize site


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