Found 1 result

Search term: QEHWEYPHEVDMER-IYARVYRRSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(trans-4-Aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-(4-carbamimidoylphenoxy)benzamide | C25H28N6O3

N-(trans-4-Aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-(4-carbamimidoylphenoxy)benzamide

  • Molecular FormulaC25H28N6O3
  • Average mass460.528 Da
  • Monoisotopic mass460.222290 Da
  • ChemSpider ID34220415

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzamide, N-(trans-4-aminocyclohexyl)-3-[4-(aminoiminomethyl)phenoxy]-5-[(6-amino-3-pyridinyl)oxy]- [ACD/Index Name]
N-(trans-4-Aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-(4-carbamimidoylphenoxy)benzamid [German] [ACD/IUPAC Name]
N-(trans-4-Aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-(4-carbamimidoylphenoxy)benzamide [ACD/IUPAC Name]
N-(trans-4-Aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-(4-carbamimidoylphénoxy)benzamide [French] [ACD/IUPAC Name]

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: 1.689
Molar Refractivity: 125.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -2.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 327.4±7.0 cm3

Click to predict properties on the Chemicalize site


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