ChemSpider 2D Image | L-glutamic acid, N-[4-[[[4-hydroxy-2-(trifluoromethyl)-6-quinazolinyl]methyl]-2-propyn-1-ylamino]benzoyl]- | C25H21F3N4O6

L-glutamic acid, N-[4-[[[4-hydroxy-2-(trifluoromethyl)-6-quinazolinyl]methyl]-2-propyn-1-ylamino]benzoyl]-

  • Molecular FormulaC25H21F3N4O6
  • Average mass530.453 Da
  • Monoisotopic mass530.141296 Da
  • ChemSpider ID118137
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Acide N-{4-[{[4-oxo-2-(trifluorométhyl)-1,4-dihydro-6-quinazolinyl]méthyl}(2-propyn-1-yl)amino]benzoyl}-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[[1,4-dihydro-4-oxo-2-(trifluoromethyl)-6-quinazolinyl]methyl]-2-propyn-1-ylamino]benzoyl]- [ACD/Index Name]
L-glutamic acid, N-[4-[[[4-hydroxy-2-(trifluoromethyl)-6-quinazolinyl]methyl]-2-propyn-1-ylamino]benzoyl]-
N-{4-[{[4-hydroxy-2-(trifluoromethyl)quinazolin-6-yl]methyl}(prop-2-yn-1-yl)amino]benzoyl}-L-glutamic acid
N-{4-[{[4-Oxo-2-(trifluormethyl)-1,4-dihydro-6-chinazolinyl]methyl}(2-propin-1-yl)amino]benzoyl}-L-glutaminsäure [German] [ACD/IUPAC Name]
N-{4-[{[4-Oxo-2-(trifluoromethyl)-1,4-dihydro-6-quinazolinyl]methyl}(2-propyn-1-yl)amino]benzoyl}-L-glutamic acid [ACD/IUPAC Name]
(2S)-2-{[4-({[4-hydroxy-2-(trifluoromethyl)quinazolin-6-yl]methyl}(prop-2-yn-1-yl)amino)phenyl]formamido}pentanedioic acid
(2S)-2-{[4-({[4-OXO-2-(TRIFLUOROMETHYL)-1H-QUINAZOLIN-6-YL]METHYL}(PROP-2-YN-1-YL)AMINO)PHENYL]FORMAMIDO}PENTANEDIOIC ACID
112887-78-2 [RN]
2-{4-[(4-Oxo-2-trifluoromethyl-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.609
Molar Refractivity: 128.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.46
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 370.7±7.0 cm3

Click to predict properties on the Chemicalize site






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