ChemSpider 2D Image | {4-[3-(2-Nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(2-thienyl)methanone | C25H21N7O3S

{4-[3-(2-Nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(2-thienyl)methanone

  • Molecular FormulaC25H21N7O3S
  • Average mass499.544 Da
  • Monoisotopic mass499.142670 Da
  • ChemSpider ID22730911

More details:

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

{4-[3-(2-Nitrophenyl)[1,2,4]triazolo[4,3-c]chinazolin-5-yl]-1,4-diazepan-1-yl}(2-thienyl)methanon [German] [ACD/IUPAC Name]
{4-[3-(2-Nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(2-thienyl)methanone [ACD/IUPAC Name]
{4-[3-(2-Nitrophényl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazépan-1-yl}(2-thiényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [hexahydro-4-[3-(2-nitrophenyl)-1,2,4-triazolo[4,3-c]quinazolin-5-yl]-1H-1,4-diazepin-1-yl]-2-thienyl- [ACD/Index 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: 1.785
Molar Refractivity: 137.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 109.58
ACD/KOC (pH 5.5): 1003.76
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 109.59
ACD/KOC (pH 7.4): 1003.87
Polar Surface Area: 141 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 72.1±7.0 dyne/cm
Molar Volume: 327.1±7.0 cm3

Click to predict properties on the Chemicalize site


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