ChemSpider 2D Image | 2-(4-Chlorobenzyl)-N-(2-thienylmethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine | C21H20ClN5S

2-(4-Chlorobenzyl)-N-(2-thienylmethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine

  • Molecular FormulaC21H20ClN5S
  • Average mass409.935 Da
  • Monoisotopic mass409.112793 Da
  • ChemSpider ID28304755

More details:

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

[1,2,4]Triazolo[5,1-b]quinazolin-9-amine, 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-N-(2-thienylmethyl)- [ACD/Index Name]
2-(4-Chlorbenzyl)-N-(2-thienylmethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]chinazolin-9-amin [German] [ACD/IUPAC Name]
2-(4-Chlorobenzyl)-N-(2-thienylmethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine [ACD/IUPAC Name]
2-(4-Chlorobenzyl)-N-(2-thiénylméthyl)-5,6,7,8-tétrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.755
Molar Refractivity: 115.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2282.20
ACD/KOC (pH 5.5): 8791.17
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2309.00
ACD/KOC (pH 7.4): 8894.40
Polar Surface Area: 83 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 281.4±7.0 cm3

Click to predict properties on the Chemicalize site


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