ChemSpider 2D Image | [4-(2,2-Difluoroethyl)-1,4-diazepan-1-yl][1,3-dimethyl-5-(2-methyl-1H-imidazol-1-yl)-1H-pyrazol-4-yl]methanone | C17H24F2N6O

[4-(2,2-Difluoroethyl)-1,4-diazepan-1-yl][1,3-dimethyl-5-(2-methyl-1H-imidazol-1-yl)-1H-pyrazol-4-yl]methanone

  • Molecular FormulaC17H24F2N6O
  • Average mass366.409 Da
  • Monoisotopic mass366.197968 Da
  • ChemSpider ID63747334

More details:

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

[4-(2,2-Difluorethyl)-1,4-diazepan-1-yl][1,3-dimethyl-5-(2-methyl-1H-imidazol-1-yl)-1H-pyrazol-4-yl]methanon [German] [ACD/IUPAC Name]
[4-(2,2-Difluoroethyl)-1,4-diazepan-1-yl][1,3-dimethyl-5-(2-methyl-1H-imidazol-1-yl)-1H-pyrazol-4-yl]methanone [ACD/IUPAC Name]
[4-(2,2-Difluoroéthyl)-1,4-diazépan-1-yl][1,3-diméthyl-5-(2-méthyl-1H-imidazol-1-yl)-1H-pyrazol-4-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(2,2-difluoroethyl)hexahydro-1H-1,4-diazepin-1-yl][1,3-dimethyl-5-(2-methyl-1H-imidazol-1-yl)-1H-pyrazol-4-yl]- [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: 569.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 298.0±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 95.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.10
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.65
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.18
ACD/KOC (pH 7.4): 59.11
Polar Surface Area: 59 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 273.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement