ChemSpider 2D Image | 3-(4-Chlorophenyl)-1-(3-methoxyphenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea | C22H24ClN5O2

3-(4-Chlorophenyl)-1-(3-methoxyphenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea

  • Molecular FormulaC22H24ClN5O2
  • Average mass425.911 Da
  • Monoisotopic mass425.161865 Da
  • ChemSpider ID21602003

More details:

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

3-(4-Chlorophenyl)-1-(3-methoxyphenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea [ACD/IUPAC Name]
3-(4-Chlorophényl)-1-(3-méthoxyphényl)-1-(6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépin-3-ylméthyl)urée [French] [ACD/IUPAC Name]
3-(4-Chlorphenyl)-1-(3-methoxyphenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)harnstoff [German] [ACD/IUPAC Name]
Urea, N'-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-[(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)methyl]- [ACD/Index Name]
N'-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea

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: 1.654
Molar Refractivity: 117.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 633.79
ACD/KOC (pH 5.5): 3523.10
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 635.29
ACD/KOC (pH 7.4): 3531.42
Polar Surface Area: 72 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 320.4±7.0 cm3

Click to predict properties on the Chemicalize site


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