ChemSpider 2D Image | 7-[4-(1H-Benzimidazol-2-yl)-1,4-diazepan-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine | C18H20N8

7-[4-(1H-Benzimidazol-2-yl)-1,4-diazepan-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine

  • Molecular FormulaC18H20N8
  • Average mass348.405 Da
  • Monoisotopic mass348.181091 Da
  • ChemSpider ID30200197

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine, 7-[4-(1H-benzimidazol-2-yl)hexahydro-1H-1,4-diazepin-1-yl]-5-methyl- [ACD/Index Name]
7-[4-(1H-Benzimidazol-2-yl)-1,4-diazepan-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin [German] [ACD/IUPAC Name]
7-[4-(1H-Benzimidazol-2-yl)-1,4-diazepan-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine [ACD/IUPAC Name]
7-[4-(1H-Benzimidazol-2-yl)-1,4-diazépan-1-yl]-5-méthyl[1,2,4]triazolo[1,5-a]pyrimidine [French] [ACD/IUPAC 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: 1.793
Molar Refractivity: 99.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): -0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.07
ACD/KOC (pH 7.4): 23.58
Polar Surface Area: 78 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 65.9±7.0 dyne/cm
Molar Volume: 234.8±7.0 cm3

Click to predict properties on the Chemicalize site


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