ChemSpider 2D Image | Methyl 2-[(3-cyano-1H-1,2,4-triazol-1-yl)methyl]-4-oxo-1,4-dihydro-7-quinazolinecarboxylate | C14H10N6O3

Methyl 2-[(3-cyano-1H-1,2,4-triazol-1-yl)methyl]-4-oxo-1,4-dihydro-7-quinazolinecarboxylate

  • Molecular FormulaC14H10N6O3
  • Average mass310.268 Da
  • Monoisotopic mass310.081451 Da
  • ChemSpider ID26185926

More details:

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

2-[(3-Cyano-1H-1,2,4-triazol-1-yl)méthyl]-4-oxo-1,4-dihydro-7-quinazolinecarboxylate de méthyle [French] [ACD/IUPAC Name]
7-Quinazolinecarboxylic acid, 2-[(3-cyano-1H-1,2,4-triazol-1-yl)methyl]-3,4-dihydro-4-oxo-, methyl ester [ACD/Index Name]
Methyl 2-[(3-cyano-1H-1,2,4-triazol-1-yl)methyl]-4-oxo-1,4-dihydro-7-quinazolinecarboxylate [ACD/IUPAC Name]
Methyl-2-[(3-cyan-1H-1,2,4-triazol-1-yl)methyl]-4-oxo-1,4-dihydro-7-chinazolincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.742
Molar Refractivity: 80.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.26
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.81
Polar Surface Area: 122 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 69.1±7.0 dyne/cm
Molar Volume: 199.1±7.0 cm3

Click to predict properties on the Chemicalize site


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