ChemSpider 2D Image | 6-[(2-Fluorobenzyl)oxy]-1-(4-methoxybenzyl)-4-(1H-1,2,4-triazol-1-ylacetyl)-1,4-diazepan-2-one | C24H26FN5O4

6-[(2-Fluorobenzyl)oxy]-1-(4-methoxybenzyl)-4-(1H-1,2,4-triazol-1-ylacetyl)-1,4-diazepan-2-one

  • Molecular FormulaC24H26FN5O4
  • Average mass467.493 Da
  • Monoisotopic mass467.196869 Da
  • ChemSpider ID22227632

More details:

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

2H-1,4-Diazepin-2-one, 6-[(2-fluorophenyl)methoxy]hexahydro-1-[(4-methoxyphenyl)methyl]-4-[2-(1H-1,2,4-triazol-1-yl)acetyl]- [ACD/Index Name]
6-[(2-Fluorbenzyl)oxy]-1-(4-methoxybenzyl)-4-(1H-1,2,4-triazol-1-ylacetyl)-1,4-diazepan-2-on [German] [ACD/IUPAC Name]
6-[(2-Fluorobenzyl)oxy]-1-(4-methoxybenzyl)-4-(1H-1,2,4-triazol-1-ylacetyl)-1,4-diazepan-2-one [ACD/IUPAC Name]
6-[(2-Fluorobenzyl)oxy]-1-(4-méthoxybenzyl)-4-[2-(1H-1,2,4-triazol-1-yl)acétyl]-1,4-diazépan-2-one [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: 716.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.4±35.7 °C
Index of Refraction: 1.621
Molar Refractivity: 125.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.55
ACD/KOC (pH 5.5): 292.22
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.57
ACD/KOC (pH 7.4): 292.50
Polar Surface Area: 90 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 355.8±7.0 cm3

Click to predict properties on the Chemicalize site


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