Found 2 results

Search term: XPXGXQNYIIZMNW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-{4-[(3S)-3-Amino-3-(4-fluorophenyl)propanoyl]-1-piperazinyl}-4-imino-6,7-dimethoxy-1,4-dihydro-8-quinazolinecarbonitrile | C24H26FN7O3

2-{4-[(3S)-3-Amino-3-(4-fluorophenyl)propanoyl]-1-piperazinyl}-4-imino-6,7-dimethoxy-1,4-dihydro-8-quinazolinecarbonitrile

  • Molecular FormulaC24H26FN7O3
  • Average mass479.507 Da
  • Monoisotopic mass479.208130 Da
  • ChemSpider ID98658267

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{4-[(3S)-3-Amino-3-(4-fluorophenyl)propanoyl]-1-piperazinyl}-4-imino-6,7-dimethoxy-1,4-dihydro-8-quinazolinecarbonitrile [ACD/IUPAC Name]
2-{4-[(3S)-3-Amino-3-(4-fluorophényl)propanoyl]-1-pipérazinyl}-4-imino-6,7-diméthoxy-1,4-dihydro-8-quinazolinecarbonitrile [French] [ACD/IUPAC Name]
2-{4-[(3S)-3-Amino-3-(4-fluorphenyl)propanoyl]-1-piperazinyl}-4-imino-6,7-dimethoxy-1,4-dihydro-8-chinazolincarbonitril [German] [ACD/IUPAC Name]
8-Quinazolinecarbonitrile, 2-[4-[(3S)-3-amino-3-(4-fluorophenyl)-1-oxopropyl]-1-piperazinyl]-1,4-dihydro-4-imino-6,7-dimethoxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 700.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.4±35.7 °C
Index of Refraction: 1.669
Molar Refractivity: 125.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.05
Polar Surface Area: 140 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 337.2±7.0 cm3

Click to predict properties on the Chemicalize site


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