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Search term: KKOAKGHHBXFOMR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2,5-Difluoro-N-(1-{7-[(5-methyl-2-furyl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}ethyl)benzamide | C21H23F2N5O2

2,5-Difluoro-N-(1-{7-[(5-methyl-2-furyl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}ethyl)benzamide

  • Molecular FormulaC21H23F2N5O2
  • Average mass415.436 Da
  • Monoisotopic mass415.181976 Da
  • ChemSpider ID22158656

More details:

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

2,5-Difluor-N-(1-{7-[(5-methyl-2-furyl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}ethyl)benzamid [German] [ACD/IUPAC Name]
2,5-Difluoro-N-(1-{7-[(5-methyl-2-furyl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}ethyl)benzamide [ACD/IUPAC Name]
2,5-Difluoro-N-(1-{7-[(5-méthyl-2-furyl)méthyl]-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl}éthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 2,5-difluoro-N-[1-[6,7,8,9-tetrahydro-7-[(5-methyl-2-furanyl)methyl]-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]- [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: 1.638
Molar Refractivity: 107.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.93
ACD/KOC (pH 5.5): 27.81
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 19.49
ACD/KOC (pH 7.4): 281.51
Polar Surface Area: 76 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 299.9±7.0 cm3

Click to predict properties on the Chemicalize site


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