ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-1-[4-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]ethanone | C19H21N9O

2-(1H-Benzotriazol-1-yl)-1-[4-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]ethanone

  • Molecular FormulaC19H21N9O
  • Average mass391.430 Da
  • Monoisotopic mass391.186920 Da
  • ChemSpider ID71318112

More details:

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

2-(1H-Benzotriazol-1-yl)-1-[4-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]ethanon [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-1-[4-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]ethanone [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-1-[4-(3-méthyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazépan-1-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(1H-1,2,3-benzotriazol-1-yl)-1-[hexahydro-4-(3-methyl-1,2,4-triazolo[4,3-b]pyridazin-6-yl)-1H-1,4-diazepin-1-yl]- [ACD/Index Name]
2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1,4-diazepan-1-yl)ethan-1-one
2320468-06-0 [RN]

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: 1.785
Molar Refractivity: 109.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 39.72
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 48.29
Polar Surface Area: 97 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 69.5±7.0 dyne/cm
Molar Volume: 258.9±7.0 cm3

Click to predict properties on the Chemicalize site


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