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Search term: CIZSQZRIGKOAAO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[1-(7-{[5-(3-Chlorophenyl)-2-furyl]methyl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-3-methoxypropanamide | C23H28ClN5O3

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

  • Molecular FormulaC23H28ClN5O3
  • Average mass457.953 Da
  • Monoisotopic mass457.188080 Da
  • ChemSpider ID23051585

More details:

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

N-[1-(7-{[5-(3-Chlorophenyl)-2-furyl]methyl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-3-methoxypropanamide [ACD/IUPAC Name]
N-[1-(7-{[5-(3-Chlorophényl)-2-furyl]méthyl}-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl)éthyl]-3-méthoxypropanamide [French] [ACD/IUPAC Name]
N-[1-(7-{[5-(3-Chlorphenyl)-2-furyl]methyl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-3-methoxypropanamid [German] [ACD/IUPAC Name]
Propanamide, N-[1-[7-[[5-(3-chlorophenyl)-2-furanyl]methyl]-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-3-methoxy- [ACD/Index Name]

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: 1.640
Molar Refractivity: 123.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 6.60
ACD/KOC (pH 5.5): 76.11
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.15
ACD/KOC (pH 7.4): 520.54
Polar Surface Area: 85 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 342.0±7.0 cm3

Click to predict properties on the Chemicalize site


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