ChemSpider 2D Image | N-{1-[7-(2,4-Dimethoxy-3-methylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl}acetamide | C23H35N5O3

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

  • Molecular FormulaC23H35N5O3
  • Average mass429.556 Da
  • Monoisotopic mass429.273987 Da
  • ChemSpider ID22146509

More details:

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

Acetamide, N-[1-[7-[(2,4-dimethoxy-3-methylphenyl)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-(2,4-Dimethoxy-3-methylbenzyl)-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-(2,4-Dimethoxy-3-methylbenzyl)-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-(2,4-Diméthoxy-3-méthylbenzyl)-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: 1.588
Molar Refractivity: 120.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 3.46
ACD/KOC (pH 5.5): 42.67
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 34.24
ACD/KOC (pH 7.4): 421.78
Polar Surface Area: 82 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 40.8±7.0 dyne/cm
Molar Volume: 357.8±7.0 cm3

Click to predict properties on the Chemicalize site


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