ChemSpider 2D Image | N-{3-[(4-Carbamimidoylbenzoyl)amino]propyl}-1-[(2,4-dichloro-3-{[(2,4-dimethyl-8-quinolinyl)oxy]methyl}phenyl)sulfonyl]-D-prolinamide | C34H36Cl2N6O5S

N-{3-[(4-Carbamimidoylbenzoyl)amino]propyl}-1-[(2,4-dichloro-3-{[(2,4-dimethyl-8-quinolinyl)oxy]methyl}phenyl)sulfonyl]-D-prolinamide

  • Molecular FormulaC34H36Cl2N6O5S
  • Average mass711.658 Da
  • Monoisotopic mass710.184509 Da
  • ChemSpider ID23271155

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyrrolidinecarboxamide, N-[3-[[4-(aminoiminomethyl)benzoyl]amino]propyl]-1-[[2,4-dichloro-3-[[(2,4-dimethyl-8-quinolinyl)oxy]methyl]phenyl]sulfonyl]-, (2R)- [ACD/Index Name]
N-{3-[(4-Carbamimidoylbenzoyl)amino]propyl}-1-[(2,4-dichlor-3-{[(2,4-dimethyl-8-chinolinyl)oxy]methyl}phenyl)sulfonyl]-D-prolinamid [German] [ACD/IUPAC Name]
N-{3-[(4-Carbamimidoylbenzoyl)amino]propyl}-1-[(2,4-dichloro-3-{[(2,4-diméthyl-8-quinoléinyl)oxy]méthyl}phényl)sulfonyl]-D-prolinamide [French] [ACD/IUPAC Name]
N-{3-[(4-Carbamimidoylbenzoyl)amino]propyl}-1-[(2,4-dichloro-3-{[(2,4-dimethyl-8-quinolinyl)oxy]methyl}phenyl)sulfonyl]-D-prolinamide [ACD/IUPAC Name]
N-{3-[(4-carbamimidoylbenzoyl)amino]propyl}-1-[(2,4-dichloro-3-{[(2,4-dimethylquinolin-8-yl)oxy]methyl}phenyl)sulfonyl]-D-prolinamide
(R)-1-[2,4-dichloro-3-(2,4-dimethyl-quinolin-8-yloxymethyl)-benzenesulfonyl]-pyrrolidine-2-carboxylic acid [3-(4-carbamimidoyl-benzoylamino)-propyl]-amide
LF16-0687
LF-16-0687

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 185.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 5.82
ACD/KOC (pH 5.5): 32.33
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 6.63
ACD/KOC (pH 7.4): 36.79
Polar Surface Area: 176 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 492.7±7.0 cm3

Click to predict properties on the Chemicalize site


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