ChemSpider 2D Image | N-{2-[7-(2,4,6-Trimethoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}tetrahydro-2-furancarboxamide | C23H33N5O5

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

  • Molecular FormulaC23H33N5O5
  • Average mass459.539 Da
  • Monoisotopic mass459.248169 Da
  • ChemSpider ID22166308

More details:

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

2-Furancarboxamide, tetrahydro-N-[2-[6,7,8,9-tetrahydro-7-[(2,4,6-trimethoxyphenyl)methyl]-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]- [ACD/Index Name]
N-{2-[7-(2,4,6-Trimethoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}tetrahydro-2-furancarboxamid [German] [ACD/IUPAC Name]
N-{2-[7-(2,4,6-Trimethoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}tetrahydro-2-furancarboxamide [ACD/IUPAC Name]
N-{2-[7-(2,4,6-Triméthoxybenzyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl]éthyl}tétrahydro-2-furanecarboxamide [French] [ACD/IUPAC 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: 1.621
Molar Refractivity: 121.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.97
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 50.91
Polar Surface Area: 100 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 344.8±7.0 cm3

Click to predict properties on the Chemicalize site


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