ChemSpider 2D Image | 3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide | C26H22BrN5O2

3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide

  • Molecular FormulaC26H22BrN5O2
  • Average mass516.389 Da
  • Monoisotopic mass515.095703 Da
  • ChemSpider ID9780764

More details:

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

1H-Pyrrole-1-acetamide, 2-[4-[(3-bromobenzoyl)amino]phenyl]-N-(diaminomethylene)-5-phenyl- [ACD/Index Name]
3-Brom-N-[4-(1-{2-[(diaminomethylen)amino]-2-oxoethyl}-5-phenyl-1H-pyrrol-2-yl)phenyl]benzamid [German] [ACD/IUPAC Name]
3-Bromo-N-[4-(1-{2-[(diaminomethylene)amino]-2-oxoethyl}-5-phenyl-1H-pyrrol-2-yl)phenyl]benzamide [ACD/IUPAC Name]
3-Bromo-N-[4-(1-{2-[(diaminométhylène)amino]-2-oxoéthyl}-5-phényl-1H-pyrrol-2-yl)phényl]benzamide [French] [ACD/IUPAC Name]
3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide
3-bromo-N-{4-[1-(2-guanidino-2-oxo-ethyl)-5-phenyl-1H-pyrrol-2-yl]-phenyl}-benzamide
CHEMBL252189

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

411 [DBID]

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: 1.681
Molar Refractivity: 135.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 582.65
ACD/KOC (pH 5.5): 3267.33
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 615.63
ACD/KOC (pH 7.4): 3452.30
Polar Surface Area: 116 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 357.5±7.0 cm3

Click to predict properties on the Chemicalize site


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