ChemSpider 2D Image | 1-{[6-(4-Methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl}-3-[6-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]urea | C20H25N9O

1-{[6-(4-Methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl}-3-[6-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]urea

  • Molecular FormulaC20H25N9O
  • Average mass407.472 Da
  • Monoisotopic mass407.218201 Da
  • ChemSpider ID30721331

More details:

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

1-{[6-(4-Methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl}-3-[6-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]harnstoff [German] [ACD/IUPAC Name]
1-{[6-(4-Methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl}-3-[6-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]urea [ACD/IUPAC Name]
1-{[6-(4-Méthyl-1,4-diazépan-1-yl)-3-pyridinyl]méthyl}-3-[6-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]urée [French] [ACD/IUPAC Name]
Urea, N-[[6-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-3-pyridinyl]methyl]-N'-[6-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.704
Molar Refractivity: 115.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.01
ACD/LogD (pH 5.5): -3.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.63
Polar Surface Area: 104 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 297.3±7.0 cm3

Click to predict properties on the Chemicalize site


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