ChemSpider 2D Image | 2-Phenoxy-N-{2-[7-(2,4,5-trimethoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}acetamide | C26H33N5O5

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

  • Molecular FormulaC26H33N5O5
  • Average mass495.571 Da
  • Monoisotopic mass495.248169 Da
  • ChemSpider ID22171040

More details:

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

2-Phenoxy-N-{2-[7-(2,4,5-trimethoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}acetamid [German] [ACD/IUPAC Name]
2-Phenoxy-N-{2-[7-(2,4,5-trimethoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}acetamide [ACD/IUPAC Name]
2-Phénoxy-N-{2-[7-(2,4,5-triméthoxybenzyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl]éthyl}acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-phenoxy-N-[2-[6,7,8,9-tetrahydro-7-[(2,4,5-trimethoxyphenyl)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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.604
Molar Refractivity: 135.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 3.07
ACD/KOC (pH 5.5): 45.24
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.21
ACD/KOC (pH 7.4): 283.01
Polar Surface Area: 100 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 392.9±7.0 cm3

Click to predict properties on the Chemicalize site


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