ChemSpider 2D Image | N-(Bromoacetyl)-beta-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-L-serinamide | C18H23BrN4O7

N-(Bromoacetyl)-β-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-L-serinamide

  • Molecular FormulaC18H23BrN4O7
  • Average mass487.302 Da
  • Monoisotopic mass486.075000 Da
  • ChemSpider ID25061011

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Serinamide, N-(2-bromoacetyl)-β-alanyl-N-[2-[4-[(carboxycarbonyl)amino]phenyl]ethyl]- [ACD/Index Name]
N-(2-Bromoacétyl)-β-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phényl}éthyl)-L-sérinamide [French] [ACD/IUPAC Name]
N-(Bromacetyl)-β-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-L-serinamid [German] [ACD/IUPAC Name]
N-(Bromoacetyl)-β-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-L-serinamide [ACD/IUPAC Name]
N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-ETHYL)-PHENYL]-OXALAMIC ACID

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

Density: 1.6±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.617
Molar Refractivity: 108.8±0.0 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 43.1±0.0 10-24cm3
Surface Tension: 68.1±0.0 dyne/cm
Molar Volume: 310.9±0.0 cm3

Click to predict properties on the Chemicalize site


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