ChemSpider 2D Image | 1-(4-Benzyl-1-piperazinyl)-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)-1-butanone | C31H30N8O

1-(4-Benzyl-1-piperazinyl)-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)-1-butanone

  • Molecular FormulaC31H30N8O
  • Average mass530.623 Da
  • Monoisotopic mass530.254272 Da
  • ChemSpider ID20277210

More details:

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

1-(4-Benzyl-1-piperazinyl)-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]chinazolin-3-yl)-1-butanon [German] [ACD/IUPAC Name]
1-(4-Benzyl-1-piperazinyl)-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)-1-butanone [ACD/IUPAC Name]
1-(4-Benzyl-1-pipérazinyl)-4-(10-phénylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[4-(phenylmethyl)-1-piperazinyl]-4-(10-phenyl-1,2,4-triazolo[4,3-a][1,2,4]triazolo[1,5-c]quinazolin-3-yl)- [ACD/Index Name]
1-(4-benzylpiperazin-1-yl)-4-(10-phenylbis([1,2,4]triazolo)[4,3-a:1',5'-c]quinazolin-3-yl)butan-1-one
1-(4-benzylpiperazin-1-yl)-4-{9-phenyl-2,4,5,7,8,10-hexaazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-3-yl}butan-1-one
902622-24-6 [RN]

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: 1.734
Molar Refractivity: 156.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 223.74
ACD/KOC (pH 5.5): 1194.98
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 710.99
ACD/KOC (pH 7.4): 3797.39
Polar Surface Area: 84 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 60.5±7.0 dyne/cm
Molar Volume: 390.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement