ChemSpider 2D Image | 4-Iodo-N-{[1-(2-oxo-2-{4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}ethyl)-1H-1,2,3-triazol-4-yl]methyl}benzenesulfonamide | C22H22IN7O4S2

4-Iodo-N-{[1-(2-oxo-2-{4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}ethyl)-1H-1,2,3-triazol-4-yl]methyl}benzenesulfonamide

  • Molecular FormulaC22H22IN7O4S2
  • Average mass639.489 Da
  • Monoisotopic mass639.021912 Da
  • ChemSpider ID25057747

More details:






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

4-Iod-N-{[1-(2-oxo-2-{4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}ethyl)-1H-1,2,3-triazol-4-yl]methyl}benzolsulfonamid [German] [ACD/IUPAC Name]
4-Iodo-N-[(1-{2-Oxo-2-[4-(3-Thiophen-2-Yl-1,2,4-Oxadiazol-5-Yl)piperidin-1-Yl]ethyl}-1h-1,2,3-Triazol-4-Yl)methyl]benzenesulfonamide
4-Iodo-N-{[1-(2-oxo-2-{4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}ethyl)-1H-1,2,3-triazol-4-yl]methyl}benzenesulfonamide [ACD/IUPAC Name]
4-Iodo-N-{[1-(2-oxo-2-{4-[3-(2-thiényl)-1,2,4-oxadiazol-5-yl]-1-pipéridinyl}éthyl)-1H-1,2,3-triazol-4-yl]méthyl}benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-iodo-N-[[1-[2-oxo-2-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]ethyl]-1H-1,2,3-triazol-4-yl]methyl]- [ACD/Index Name]
O8H

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 822.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 451.2±37.1 °C
Index of Refraction: 1.795
Molar Refractivity: 146.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.24
ACD/KOC (pH 5.5): 707.35
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 59.90
ACD/KOC (pH 7.4): 630.08
Polar Surface Area: 173 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 74.9±7.0 dyne/cm
Molar Volume: 345.0±7.0 cm3

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