ChemSpider 2D Image | 5-{1-[(2-Bromophenyl)sulfonyl]-2-pyrrolidinyl}-3-(4-fluorophenyl)-1,2,4-oxadiazole | C18H15BrFN3O3S

5-{1-[(2-Bromophenyl)sulfonyl]-2-pyrrolidinyl}-3-(4-fluorophenyl)-1,2,4-oxadiazole

  • Molecular FormulaC18H15BrFN3O3S
  • Average mass452.297 Da
  • Monoisotopic mass451.000153 Da
  • ChemSpider ID29112078

More details:

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

1,2,4-Oxadiazole, 5-[1-[(2-bromophenyl)sulfonyl]-2-pyrrolidinyl]-3-(4-fluorophenyl)- [ACD/Index Name]
5-{1-[(2-Bromophenyl)sulfonyl]-2-pyrrolidinyl}-3-(4-fluorophenyl)-1,2,4-oxadiazole [ACD/IUPAC Name]
5-{1-[(2-Bromophényl)sulfonyl]-2-pyrrolidinyl}-3-(4-fluorophényl)-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
5-{1-[(2-Bromphenyl)sulfonyl]-2-pyrrolidinyl}-3-(4-fluorphenyl)-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
2-bromophenyl {2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl} sulfone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 589.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.2±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 101.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 373.28
ACD/KOC (pH 5.5): 2413.62
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 373.28
ACD/KOC (pH 7.4): 2413.62
Polar Surface Area: 85 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 286.1±3.0 cm3

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