ChemSpider 2D Image | N-(2-{7-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}ethyl)-2-(4-fluorophenyl)acetamide | C24H25ClFN5O3

N-(2-{7-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}ethyl)-2-(4-fluorophenyl)acetamide

  • Molecular FormulaC24H25ClFN5O3
  • Average mass485.938 Da
  • Monoisotopic mass485.162994 Da
  • ChemSpider ID23056750

More details:

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

Benzeneacetamide, N-[2-[7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-4-fluoro- [ACD/Index Name]
N-(2-{7-[(6-Chlor-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}ethyl)-2-(4-fluorphenyl)acetamid [German] [ACD/IUPAC Name]
N-(2-{7-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}ethyl)-2-(4-fluorophenyl)acetamide [ACD/IUPAC Name]
N-(2-{7-[(6-Chloro-1,3-benzodioxol-5-yl)méthyl]-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl}éthyl)-2-(4-fluorophényl)acétamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 125.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 9.84
ACD/KOC (pH 5.5): 114.21
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.44
ACD/KOC (pH 7.4): 527.44
Polar Surface Area: 82 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 334.1±7.0 cm3

Click to predict properties on the Chemicalize site


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