ChemSpider 2D Image | N-Phenyl-4-[3-(2-thienyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxamide | C25H23N7OS

N-Phenyl-4-[3-(2-thienyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxamide

  • Molecular FormulaC25H23N7OS
  • Average mass469.561 Da
  • Monoisotopic mass469.168488 Da
  • ChemSpider ID22708561

More details:

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

1H-1,4-Diazepine-1-carboxamide, hexahydro-N-phenyl-4-[3-(2-thienyl)-1,2,4-triazolo[4,3-c]quinazolin-5-yl]- [ACD/Index Name]
N-Phenyl-4-[3-(2-thienyl)[1,2,4]triazolo[4,3-c]chinazolin-5-yl]-1,4-diazepan-1-carboxamid [German] [ACD/IUPAC Name]
N-Phenyl-4-[3-(2-thienyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxamide [ACD/IUPAC Name]
N-Phényl-4-[3-(2-thiényl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazépane-1-carboxamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.766
Molar Refractivity: 135.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 157.95
ACD/KOC (pH 5.5): 1304.01
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 157.99
ACD/KOC (pH 7.4): 1304.32
Polar Surface Area: 107 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 65.1±7.0 dyne/cm
Molar Volume: 326.5±7.0 cm3

Click to predict properties on the Chemicalize site


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