ChemSpider 2D Image | 3-{3-[4-(2-Aminoethyl)-1-piperidinyl]-2-({[3-(6-amino-3-pyridinyl)phenyl]sulfonyl}amino)-3-oxopropyl}benzenecarboximidamide | C28H35N7O3S

3-{3-[4-(2-Aminoethyl)-1-piperidinyl]-2-({[3-(6-amino-3-pyridinyl)phenyl]sulfonyl}amino)-3-oxopropyl}benzenecarboximidamide

  • Molecular FormulaC28H35N7O3S
  • Average mass549.688 Da
  • Monoisotopic mass549.252197 Da
  • ChemSpider ID34955955

More details:

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

3-{3-[4-(2-Aminoethyl)-1-piperidinyl]-2-({[3-(6-amino-3-pyridinyl)phenyl]sulfonyl}amino)-3-oxopropyl}benzenecarboximidamide [ACD/IUPAC Name]
3-{3-[4-(2-Aminoéthyl)-1-pipéridinyl]-2-({[3-(6-amino-3-pyridinyl)phényl]sulfonyl}amino)-3-oxopropyl}benzènecarboximidamide [French] [ACD/IUPAC Name]
3-{3-[4-(2-Aminoethyl)-1-piperidinyl]-2-({[3-(6-amino-3-pyridinyl)phenyl]sulfonyl}amino)-3-oxopropyl}benzolcarboximidamid [German] [ACD/IUPAC Name]
Benzenecarboximidamide, 3-[3-[4-(2-aminoethyl)-1-piperidinyl]-2-[[[3-(6-amino-3-pyridinyl)phenyl]sulfonyl]amino]-3-oxopropyl]- [ACD/Index Name]
US8569313, 22

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

Density: 1.4±0.1 g/cm3
Boiling Point: 821.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.4±3.0 kJ/mol
Flash Point: 450.8±37.1 °C
Index of Refraction: 1.686
Molar Refractivity: 149.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -2.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 393.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement