ChemSpider 2D Image | 3-[5-(2,4-Difluorobenzoyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid | C17H17F2N3O3

3-[5-(2,4-Difluorobenzoyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid

  • Molecular FormulaC17H17F2N3O3
  • Average mass349.332 Da
  • Monoisotopic mass349.123810 Da
  • ChemSpider ID29648075

More details:

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

3-[5-(2,4-Difluorbenzoyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]propansäure [German] [ACD/IUPAC Name]
3-[5-(2,4-Difluorobenzoyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid [ACD/IUPAC Name]
4H-Pyrazolo[1,5-a][1,4]diazepine-2-propanoic acid, 5-(2,4-difluorobenzoyl)-5,6,7,8-tetrahydro- [ACD/Index Name]
Acide 3-[5-(2,4-difluorobenzoyl)-5,6,7,8-tétrahydro-4H-pyrazolo[1,5-a][1,4]diazépin-2-yl]propanoïque [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: 582.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 305.9±30.1 °C
Index of Refraction: 1.625
Molar Refractivity: 86.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.24
ACD/LogD (pH 7.4): -2.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 244.6±7.0 cm3

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