ChemSpider 2D Image | 1'-{(2S)-3-(3-Carbamimidoylphenyl)-2-[(2-naphthylsulfonyl)amino]propanoyl}-4,4'-bipiperidine-1-carboximidamide | C31H39N7O3S

1'-{(2S)-3-(3-Carbamimidoylphenyl)-2-[(2-naphthylsulfonyl)amino]propanoyl}-4,4'-bipiperidine-1-carboximidamide

  • Molecular FormulaC31H39N7O3S
  • Average mass589.752 Da
  • Monoisotopic mass589.283508 Da
  • ChemSpider ID9817542

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[4,4'-Bipiperidine]-1-carboximidamide, 1'-[(2S)-3-[3-(aminoiminomethyl)phenyl]-2-[(2-naphthalenylsulfonyl)amino]-1-oxopropyl]- [ACD/Index Name]
1'-{(2S)-3-(3-Carbamimidoylphenyl)-2-[(2-naphthylsulfonyl)amino]propanoyl}-4,4'-bipiperidin-1-carboximidamid [German] [ACD/IUPAC Name]
1'-{(2S)-3-(3-Carbamimidoylphenyl)-2-[(2-naphthylsulfonyl)amino]propanoyl}-4,4'-bipiperidine-1-carboximidamide [ACD/IUPAC Name]
1'-{(2S)-3-(3-Carbamimidoylphényl)-2-[(2-naphtylsulfonyl)amino]propanoyl}-4,4'-bipipéridine-1-carboximidamide [French] [ACD/IUPAC Name]
1'-{(2S)-3-(3-carbamimidoylphenyl)-2-[(naphthalen-2-ylsulfonyl)amino]propanoyl}-4,4'-bipiperidine-1-carboximidamide
1'-[(S)-3-(3-carbamimidoyl-phenyl)-2-(naphthalene-2-sulfonylamino)-propionyl]-[4,4']bipiperidinyl-1-carboxamidine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL379357/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 824.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 452.5±37.1 °C
Index of Refraction: 1.700
Molar Refractivity: 161.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 419.1±7.0 cm3

Click to predict properties on the Chemicalize site


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