ChemSpider 2D Image | N-(5-Chloro-2-methoxyphenyl)-2-[5-(3-chloro-4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide | C20H17Cl2N5O4

N-(5-Chloro-2-methoxyphenyl)-2-[5-(3-chloro-4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide

  • Molecular FormulaC20H17Cl2N5O4
  • Average mass462.286 Da
  • Monoisotopic mass461.065765 Da
  • ChemSpider ID31097459

More details:

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

N-(5-Chlor-2-methoxyphenyl)-2-[5-(3-chlor-4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamid [German] [ACD/IUPAC Name]
N-(5-Chloro-2-methoxyphenyl)-2-[5-(3-chloro-4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide [ACD/IUPAC Name]
N-(5-Chloro-2-méthoxyphényl)-2-[5-(3-chloro-4-méthylphényl)-4,6-dioxo-4,5,6,6a-tétrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acétamide [French] [ACD/IUPAC Name]
Pyrrolo[3,4-d]-1,2,3-triazole-1(3aH)-acetamide, N-(5-chloro-2-methoxyphenyl)-5-(3-chloro-4-methylphenyl)-4,5,6,6a-tetrahydro-4,6-dioxo- [ACD/Index Name]
N-(5-Chloro-2-methoxy-phenyl)-2-[5-(3-chloro-4-methyl-phenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-acetamide

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.715
Molar Refractivity: 114.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 334.42
ACD/KOC (pH 5.5): 2230.97
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 334.43
ACD/KOC (pH 7.4): 2231.01
Polar Surface Area: 104 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 291.2±7.0 cm3

Click to predict properties on the Chemicalize site


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