ChemSpider 2D Image | 3-[5-(2,3-Difluoro-6-methoxybenzoyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid | C18H19F2N3O4

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

  • Molecular FormulaC18H19F2N3O4
  • Average mass379.358 Da
  • Monoisotopic mass379.134369 Da
  • ChemSpider ID29477625

More details:

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

3-[5-(2,3-Difluor-6-methoxybenzoyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]propansäure [German] [ACD/IUPAC Name]
3-[5-(2,3-Difluoro-6-methoxybenzoyl)-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-(2,3-difluoro-6-methoxybenzoyl)-5,6,7,8-tetrahydro- [ACD/Index Name]
Acide 3-[5-(2,3-difluoro-6-méthoxybenzoyl)-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: 626.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 332.8±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 92.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.42
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 266.3±7.0 cm3

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