ChemSpider 2D Image | 4-Azido-N-[2-(N'-cyano-N''-{3-[3-(1-piperidinylmethyl)phenoxy]propyl}carbamimidamido)ethyl]-3-iodobenzamide | C26H33IN9O2

4-Azido-N-[2-(N'-cyano-N''-{3-[3-(1-piperidinylmethyl)phenoxy]propyl}carbamimidamido)ethyl]-3-iodobenzamide

  • Molecular FormulaC26H33IN9O2
  • Average mass629.496 Da
  • Monoisotopic mass629.172363 Da
  • ChemSpider ID2301471

More details:






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

4-azido-N-(2-{[(Z)-(cyanoamino)({3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}amino)methylidene]amino}ethyl)-3-iodobenzamide
4-Azido-N-[2-(N'-cyan-N''-{3-[3-(1-piperidinylmethyl)phenoxy]propyl}carbamimidamido)ethyl]-3-iodbenzamid [German] [ACD/IUPAC Name]
4-Azido-N-[2-(N'-cyano-N''-{3-[3-(1-piperidinylmethyl)phenoxy]propyl}carbamimidamido)ethyl]-3-iodobenzamide [ACD/IUPAC Name]
4-Azido-N-[2-(N'-cyano-N''-{3-[3-(1-pipéridinylméthyl)phénoxy]propyl}carbamimidamido)éthyl]-3-iodobenzamide [French] [ACD/IUPAC Name]
Benzamide, 4-azido-N-[2-[[(Z)-(cyanoamino)[[3-[3-(1-piperidinylmethyl)phenoxy]propyl]imino]methyl]amino]ethyl]-3-iodo- [ACD/Index Name]
10.1021/jm00090a013
126632-02-8 [RN]
1N-{2-[3-(3-hexahydro-1-pyridinylmethylphenoxy)propylamino(cyanoimino)methylamino]ethyl}-4-azido-3-iodobenzamide
Benzamide, 4-azido-N-(2-(((cyanoamino)((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)methylene)amino)ethyl)-3-iodo-
I-Azpt
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.95
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 22.93
ACD/KOC (pH 7.4): 117.02
Polar Surface Area: 114 Å2
Polarizability:
Surface Tension:
Molar Volume:

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