ChemSpider 2D Image | 1-[(4-Amino-2-quinazolinyl)methyl]-4-(2-chlorophenyl)-1,4-dihydro-5H-tetrazol-5-one | C16H12ClN7O

1-[(4-Amino-2-quinazolinyl)methyl]-4-(2-chlorophenyl)-1,4-dihydro-5H-tetrazol-5-one

  • Molecular FormulaC16H12ClN7O
  • Average mass353.766 Da
  • Monoisotopic mass353.079193 Da
  • ChemSpider ID30139158

More details:

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

1-[(4-Amino-2-chinazolinyl)methyl]-4-(2-chlorphenyl)-1,4-dihydro-5H-tetrazol-5-on [German] [ACD/IUPAC Name]
1-[(4-Amino-2-quinazolinyl)methyl]-4-(2-chlorophenyl)-1,4-dihydro-5H-tetrazol-5-one [ACD/IUPAC Name]
1-[(4-Amino-2-quinazolinyl)méthyl]-4-(2-chlorophényl)-1,4-dihydro-5H-tétrazol-5-one [French] [ACD/IUPAC Name]
5H-Tetrazol-5-one, 1-[(4-amino-2-quinazolinyl)methyl]-4-(2-chlorophenyl)-1,4-dihydro- [ACD/Index 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: 424.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 210.8±31.5 °C
Index of Refraction: 1.795
Molar Refractivity: 93.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 4.18
ACD/KOC (pH 5.5): 56.75
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.52
ACD/KOC (pH 7.4): 346.93
Polar Surface Area: 100 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 72.6±7.0 dyne/cm
Molar Volume: 219.9±7.0 cm3

Click to predict properties on the Chemicalize site


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