ChemSpider 2D Image | (2S)-2-[(4-{[(2-Amino-4-oxo-3,4-dihydro-6-quinazolinyl)methyl](bromoacetyl)amino}benzoyl)amino]pentanedioate | C23H20BrN5O7

(2S)-2-[(4-{[(2-Amino-4-oxo-3,4-dihydro-6-quinazolinyl)methyl](bromoacetyl)amino}benzoyl)amino]pentanedioate

  • Molecular FormulaC23H20BrN5O7
  • Average mass558.339 Da
  • Monoisotopic mass557.055725 Da
  • ChemSpider ID128920877

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(4-{[(2-Amino-4-oxo-3,4-dihydro-6-chinazolinyl)methyl](bromacetyl)amino}benzoyl)amino]pentandioat [German] [ACD/IUPAC Name]
(2S)-2-[(4-{[(2-Amino-4-oxo-3,4-dihydro-6-quinazolinyl)méthyl](2-bromoacétyl)amino}benzoyl)amino]pentanedioate [French] [ACD/IUPAC Name]
(2S)-2-[(4-{[(2-Amino-4-oxo-3,4-dihydro-6-quinazolinyl)methyl](bromoacetyl)amino}benzoyl)amino]pentanedioate [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[(2-amino-3,4-dihydro-4-oxo-6-quinazolinyl)methyl](2-bromoacetyl)amino]benzoyl]-, ion(2-) [ACD/Index Name]
N10-(bromoacetyl)-5,8-dideazafolate

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -2.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 197 Å2
Polarizability:
Surface Tension:
Molar Volume:

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