ChemSpider 2D Image | plevitrexed | C26H25FN8O4

plevitrexed

  • Molecular FormulaC26H25FN8O4
  • Average mass532.526 Da
  • Monoisotopic mass532.198303 Da
  • ChemSpider ID184720
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-[(2-fluoro-4-{[(4-hydroxy-2,7-dimethylquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}benzoyl)amino]-4-(2H-tetrazol-5-yl)butanoic acid
(2S)-2-[(4-{[(2,7-Dimethyl-4-oxo-1,4-dihydro-6-chinazolinyl)methyl](2-propin-1-yl)amino}-2-fluorbenzoyl)amino]-4-(2H-tetrazol-5-yl)butansäure [German] [ACD/IUPAC Name]
(2S)-2-[(4-{[(2,7-Dimethyl-4-oxo-1,4-dihydro-6-quinazolinyl)methyl](2-propyn-1-yl)amino}-2-fluorobenzoyl)amino]-4-(2H-tetrazol-5-yl)butanoic acid [ACD/IUPAC Name]
(2S)-2-[(4-{[(2,7-Dimethyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}-2-fluorobenzoyl)amino]-4-(1H-tetrazol-5-yl)butanoic acid
(2S)-2-[[4-[[(2,7-Dimethyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-ynyl)amino]-2-fluorobenzoyl]amino]-4-(1H-tetrazol-5-yl)butanoic Acid
153537-73-6 [RN]
1H-tetrazole-5-butanoic acid, α-[[4-[[(1,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl]-2-propyn-1-ylamino]-2-fluorobenzoyl]amino]-, (αS)-
2H-Tetrazole-5-butanoic acid, α-[[4-[[(1,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl]-2-propyn-1-ylamino]-2-fluorobenzoyl]amino]-, (αS)- [ACD/Index Name]
Acide (2S)-2-[(4-{[(2,7-diméthyl-4-oxo-1,4-dihydro-6-quinazolinyl)méthyl](2-propyn-1-yl)amino}-2-fluorobenzoyl)amino]-4-(2H-tétrazol-5-yl)butanoïque [French] [ACD/IUPAC Name]
plevitrexed [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZD 9331 [DBID]
NCI60_034390 [DBID]
NSC 696259 [DBID]

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: 1.684
Molar Refractivity: 140.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.21
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 369.5±7.0 cm3

Click to predict properties on the Chemicalize site






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