ChemSpider 2D Image | 6-[4-(2,3-Dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-N-(3-methoxypropyl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine | C22H29N7O2

6-[4-(2,3-Dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-N-(3-methoxypropyl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

  • Molecular FormulaC22H29N7O2
  • Average mass423.511 Da
  • Monoisotopic mass423.238281 Da
  • ChemSpider ID22129274

More details:

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

[1,2,5]Oxadiazolo[3,4-b]pyrazin-5-amine, 6-[4-(2,3-dihydro-1H-inden-2-yl)hexahydro-1H-1,4-diazepin-1-yl]-N-(3-methoxypropyl)- [ACD/Index Name]
6-[4-(2,3-Dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-N-(3-methoxypropyl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amin [German] [ACD/IUPAC Name]
6-[4-(2,3-Dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-N-(3-methoxypropyl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine [ACD/IUPAC Name]
6-[4-(2,3-Dihydro-1H-indén-2-yl)-1,4-diazépan-1-yl]-N-(3-méthoxypropyl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 599.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.6±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 118.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.13
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 10.02
ACD/KOC (pH 7.4): 82.74
Polar Surface Area: 92 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 327.8±3.0 cm3

Click to predict properties on the Chemicalize site


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