ChemSpider 2D Image | 1-(4-Methoxy-2-methylphenyl)-3-{1-[4-(9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazepin-3-yl)benzyl]-4-piperidinyl}urea | C34H34N8O2

1-(4-Methoxy-2-methylphenyl)-3-{1-[4-(9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazepin-3-yl)benzyl]-4-piperidinyl}urea

  • Molecular FormulaC34H34N8O2
  • Average mass586.686 Da
  • Monoisotopic mass586.280457 Da
  • ChemSpider ID34954630

More details:

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

1-(4-Methoxy-2-methylphenyl)-3-{1-[4-(9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazepin-3-yl)benzyl]-4-piperidinyl}harnstoff [German] [ACD/IUPAC Name]
1-(4-Methoxy-2-methylphenyl)-3-{1-[4-(9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazepin-3-yl)benzyl]-4-piperidinyl}urea [ACD/IUPAC Name]
1-(4-Méthoxy-2-méthylphényl)-3-{1-[4-(9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazépin-3-yl)benzyl]-4-pipéridinyl}urée [French] [ACD/IUPAC Name]
Urea, N-(4-methoxy-2-methylphenyl)-N'-[1-[[4-(9H-pyrido[2,3-b]-1,2,4-triazolo[4,3-d][1,4]benzodiazepin-3-yl)phenyl]methyl]-4-piperidinyl]- [ACD/Index Name]
US8541407, 188

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: 1.716
Molar Refractivity: 169.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 105.94
ACD/KOC (pH 5.5): 310.66
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3492.54
ACD/KOC (pH 7.4): 10241.57
Polar Surface Area: 109 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 431.1±7.0 cm3

Click to predict properties on the Chemicalize site


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