ChemSpider 2D Image | 3-{[5-(4,6-Dimethoxy-2-pyrimidinyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-1,1-dimethylurea | C17H25N7O3

3-{[5-(4,6-Dimethoxy-2-pyrimidinyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-1,1-dimethylurea

  • Molecular FormulaC17H25N7O3
  • Average mass375.426 Da
  • Monoisotopic mass375.201874 Da
  • ChemSpider ID29537189

More details:

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

3-{[5-(4,6-Dimethoxy-2-pyrimidinyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-1,1-dimethylharnstoff [German] [ACD/IUPAC Name]
3-{[5-(4,6-Dimethoxy-2-pyrimidinyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-1,1-dimethylurea [ACD/IUPAC Name]
3-{[5-(4,6-Diméthoxy-2-pyrimidinyl)-5,6,7,8-tétrahydro-4H-pyrazolo[1,5-a][1,4]diazépin-2-yl]méthyl}-1,1-diméthylurée [French] [ACD/IUPAC Name]
Urea, N'-[[5-(4,6-dimethoxy-2-pyrimidinyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-N,N-dimethyl- [ACD/Index Name]
N'-{[5-(4,6-dimethoxypyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-N,N-dimethylurea

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 100.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.96
ACD/KOC (pH 5.5): 139.01
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.04
ACD/KOC (pH 7.4): 140.70
Polar Surface Area: 98 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 278.7±7.0 cm3

Click to predict properties on the Chemicalize site


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