ChemSpider 2D Image | 2-{[4-(3-Cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]sulfonyl}benzonitrile | C27H29N7O2S

2-{[4-(3-Cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]sulfonyl}benzonitrile

  • Molecular FormulaC27H29N7O2S
  • Average mass515.630 Da
  • Monoisotopic mass515.210327 Da
  • ChemSpider ID22708569

More details:

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

2-{[4-(3-Cyclohexyl[1,2,4]triazolo[4,3-c]chinazolin-5-yl)-1,4-diazepan-1-yl]sulfonyl}benzonitril [German] [ACD/IUPAC Name]
2-{[4-(3-Cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]sulfonyl}benzonitrile [ACD/IUPAC Name]
2-{[4-(3-Cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazépan-1-yl]sulfonyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[[4-(3-cyclohexyl-1,2,4-triazolo[4,3-c]quinazolin-5-yl)hexahydro-1H-1,4-diazepin-1-yl]sulfonyl]- [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: 1.737
Molar Refractivity: 144.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 348.13
ACD/KOC (pH 5.5): 2295.54
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 348.40
ACD/KOC (pH 7.4): 2297.35
Polar Surface Area: 116 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 64.6±7.0 dyne/cm
Molar Volume: 359.1±7.0 cm3

Click to predict properties on the Chemicalize site


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