ChemSpider 2D Image | N-[trans-4-({7-(Cyclopropylamino)-3-[(Z)-(2,5-dioxo-4-imidazolidinylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl}amino)cyclohexyl]-2-methyl-1-propanesulfonamide | C23H32N8O4S

N-[trans-4-({7-(Cyclopropylamino)-3-[(Z)-(2,5-dioxo-4-imidazolidinylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl}amino)cyclohexyl]-2-methyl-1-propanesulfonamide

  • Molecular FormulaC23H32N8O4S
  • Average mass516.616 Da
  • Monoisotopic mass516.226746 Da
  • ChemSpider ID76785784

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Propanesulfonamide, N-[trans-4-[[7-(cyclopropylamino)-3-[(Z)-(2,5-dioxo-4-imidazolidinylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]-2-methyl- [ACD/Index Name]
N-[trans-4-({7-(Cyclopropylamino)-3-[(Z)-(2,5-dioxo-4-imidazolidinyliden)methyl]pyrazolo[1,5-a]pyrimidin-5-yl}amino)cyclohexyl]-2-methyl-1-propansulfonamid [German] [ACD/IUPAC Name]
N-[trans-4-({7-(Cyclopropylamino)-3-[(Z)-(2,5-dioxo-4-imidazolidinylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl}amino)cyclohexyl]-2-methyl-1-propanesulfonamide [ACD/IUPAC Name]
N-[trans-4-({7-(Cyclopropylamino)-3-[(Z)-(2,5-dioxo-4-imidazolidinylidène)méthyl]pyrazolo[1,5-a]pyrimidin-5-yl}amino)cyclohexyl]-2-méthyl-1-propanesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.775
Molar Refractivity: 132.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.57
ACD/KOC (pH 5.5): 62.01
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.43
Polar Surface Area: 167 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 70.7±7.0 dyne/cm
Molar Volume: 316.6±7.0 cm3

Click to predict properties on the Chemicalize site


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