ChemSpider 2D Image | N-Butyl-3-{[6-(3H-purin-6-ylamino)hexanoyl]amino}benzamide | C22H29N7O2

N-Butyl-3-{[6-(3H-purin-6-ylamino)hexanoyl]amino}benzamide

  • Molecular FormulaC22H29N7O2
  • Average mass423.511 Da
  • Monoisotopic mass423.238281 Da
  • ChemSpider ID22377201

More details:

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

Benzamide, N-butyl-3-[[1-oxo-6-(9H-purin-6-ylamino)hexyl]amino]- [ACD/Index Name]
N-Butyl-3-{[6-(3H-purin-6-ylamino)hexanoyl]amino}benzamid [German] [ACD/IUPAC Name]
N-Butyl-3-{[6-(3H-purin-6-ylamino)hexanoyl]amino}benzamide [ACD/IUPAC Name]
N-Butyl-3-{[6-(3H-purin-6-ylamino)hexanoyl]amino}benzamide [French] [ACD/IUPAC Name]
3-(6-(9H-purin-6-ylamino)hexanamido)-N-butylbenzamide
CHEMBL521105
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL521105/
N-butyl-3-[6-(9H-purin-6-ylamino)hexanamido]benzamide
N-butyl-3-{6-[(9H-purin-6-yl)amino]hexanamido}benzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.652
Molar Refractivity: 122.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.05
ACD/KOC (pH 5.5): 939.68
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 103.32
ACD/KOC (pH 7.4): 960.82
Polar Surface Area: 125 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 334.4±3.0 cm3

Click to predict properties on the Chemicalize site


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