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Search term: AKNRIDMNFBHHDR (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N-{1-[7-(4-Ethoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl}acetamide | C22H33N5O2

N-{1-[7-(4-Ethoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl}acetamide

  • Molecular FormulaC22H33N5O2
  • Average mass399.530 Da
  • Monoisotopic mass399.263428 Da
  • ChemSpider ID22160214

More details:






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

Acetamide, N-[1-[7-[(4-ethoxyphenyl)methyl]-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl]- [ACD/Index Name]
N-{1-[7-(4-Ethoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl}acetamid [German] [ACD/IUPAC Name]
N-{1-[7-(4-Ethoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl}acetamide [ACD/IUPAC Name]
N-{1-[7-(4-Éthoxybenzyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl]-3-méthylbutyl}acétamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 114.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 1.68
ACD/KOC (pH 5.5): 19.69
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 34.19
ACD/KOC (pH 7.4): 401.47
Polar Surface Area: 72 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 337.0±7.0 cm3

Click to predict properties on the Chemicalize site






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