ChemSpider 2D Image | N-{1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3-[4-(2-hydroxyethyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl}-2-(4-propylphenoxy)acetamide | C23H34N6O5S

N-{1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3-[4-(2-hydroxyethyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl}-2-(4-propylphenoxy)acetamide

  • Molecular FormulaC23H34N6O5S
  • Average mass506.618 Da
  • Monoisotopic mass506.231140 Da
  • ChemSpider ID123892144

More details:






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

Acetamide, N-[3-[4-(2-hydroxyethyl)-1-piperazinyl]-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-1,2,4-triazol-5-yl]-2-(4-propylphenoxy)- [ACD/Index Name]
N-{1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3-[4-(2-hydroxyethyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl}-2-(4-propylphenoxy)acetamid [German] [ACD/IUPAC Name]
N-{1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3-[4-(2-hydroxyethyl)-1-piperazinyl]-1H-1,2,4-triazol-5-yl}-2-(4-propylphenoxy)acetamide [ACD/IUPAC Name]
N-{1-(1,1-Dioxydotétrahydro-3-thiophényl)-3-[4-(2-hydroxyéthyl)-1-pipérazinyl]-1H-1,2,4-triazol-5-yl}-2-(4-propylphénoxy)acétamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 132.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.84
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.92
ACD/KOC (pH 7.4): 53.76
Polar Surface Area: 138 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 355.3±7.0 cm3

Click to predict properties on the Chemicalize site






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