ChemSpider 2D Image | N-{[7-(2,4-Difluorobenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-2,5-dimethyl-3-furamide | C21H23F2N5O2

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

  • Molecular FormulaC21H23F2N5O2
  • Average mass415.436 Da
  • Monoisotopic mass415.181976 Da
  • ChemSpider ID22213700

More details:






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

3-Furancarboxamide, N-[[7-[(2,4-difluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]methyl]-2,5-dimethyl- [ACD/Index Name]
N-{[7-(2,4-Difluorbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-2,5-dimethyl-3-furamid [German] [ACD/IUPAC Name]
N-{[7-(2,4-Difluorobenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-2,5-dimethyl-3-furamide [ACD/IUPAC Name]
N-{[7-(2,4-Difluorobenzyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl]méthyl}-2,5-diméthyl-3-furamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.638
Molar Refractivity: 107.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 5.11
ACD/KOC (pH 5.5): 71.71
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.32
ACD/KOC (pH 7.4): 327.29
Polar Surface Area: 76 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 299.9±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement