ChemSpider 2D Image | 1-{4-[3-(2-Nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-phenyl-1-butanone | C30H29N7O3

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

  • Molecular FormulaC30H29N7O3
  • Average mass535.596 Da
  • Monoisotopic mass535.233215 Da
  • ChemSpider ID22730681

More details:

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

1-{4-[3-(2-Nitrophenyl)[1,2,4]triazolo[4,3-c]chinazolin-5-yl]-1,4-diazepan-1-yl}-2-phenyl-1-butanon [German] [ACD/IUPAC Name]
1-{4-[3-(2-Nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-phenyl-1-butanone [ACD/IUPAC Name]
1-{4-[3-(2-Nitrophényl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazépan-1-yl}-2-phényl-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[hexahydro-4-[3-(2-nitrophenyl)-1,2,4-triazolo[4,3-c]quinazolin-5-yl]-1H-1,4-diazepin-1-yl]-2-phenyl- [ACD/Index 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: 1.708
Molar Refractivity: 152.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 907.01
ACD/KOC (pH 5.5): 4556.65
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 907.12
ACD/KOC (pH 7.4): 4557.18
Polar Surface Area: 112 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 391.9±7.0 cm3

Click to predict properties on the Chemicalize site


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