ChemSpider 2D Image | N-{[7-(2,4,6-Trimethoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}tetrahydro-3-furancarboxamide | C22H31N5O5

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

  • Molecular FormulaC22H31N5O5
  • Average mass445.512 Da
  • Monoisotopic mass445.232513 Da
  • ChemSpider ID22121134

More details:

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

3-Furancarboxamide, tetrahydro-N-[[6,7,8,9-tetrahydro-7-[(2,4,6-trimethoxyphenyl)methyl]-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]methyl]- [ACD/Index Name]
N-{[7-(2,4,6-Trimethoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}tetrahydro-3-furancarboxamid [German] [ACD/IUPAC Name]
N-{[7-(2,4,6-Trimethoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}tetrahydro-3-furancarboxamide [ACD/IUPAC Name]
N-{[7-(2,4,6-Triméthoxybenzyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl]méthyl}tétrahydro-3-furanecarboxamide [French] [ACD/IUPAC 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: 1.628
Molar Refractivity: 116.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.46
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.98
Polar Surface Area: 100 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 328.7±7.0 cm3

Click to predict properties on the Chemicalize site


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