ChemSpider 2D Image | Amino{4-[({[2-(2,2-diphenylethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)methyl]cyclohexyl}methaniminium | C30H37N6O3

Amino{4-[({[2-(2,2-diphenylethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)methyl]cyclohexyl}methaniminium

  • Molecular FormulaC30H37N6O3
  • Average mass529.653 Da
  • Monoisotopic mass529.292175 Da
  • ChemSpider ID21218500

  • Charge - Charge

More details:

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

Amino{4-[({[2-(2,2-diphenylethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)methyl]cyclohexyl}methaniminium [ACD/IUPAC Name]
Amino{4-[({[2-(2,2-diphenylethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)methyl]cyclohexyl}methaniminium [German] [ACD/IUPAC Name]
Amino{4-[({[2-(2,2-diphényléthyl)-7-méthyl-1,3-dioxo-2,3,5,8-tétrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)méthyl]cyclohexyl}méthaniminium [French] [ACD/IUPAC Name]
Cyclohexanemethaniminium, α-amino-4-[[[[2-(2,2-diphenylethyl)-2,3,5,8-tetrahydro-7-methyl-1,3-dioxo-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl]amino]methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.37
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.38
Polar Surface Area: 125 Å2
Polarizability:
Surface Tension:
Molar Volume:

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