ChemSpider 2D Image | N-(3-{4-[(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}benzyl)-5-(1-piperidinylmethyl)-2-thiophenecarboxamide | C25H30N8OS

N-(3-{4-[(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}benzyl)-5-(1-piperidinylmethyl)-2-thiophenecarboxamide

  • Molecular FormulaC25H30N8OS
  • Average mass490.624 Da
  • Monoisotopic mass490.226318 Da
  • ChemSpider ID114972028

More details:

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

2-Thiophenecarboxamide, N-[[3-[4-[(3,5-dimethyl-1H-1,2,4-triazol-1-yl)methyl]-1H-1,2,3-triazol-1-yl]phenyl]methyl]-5-(1-piperidinylmethyl)- [ACD/Index Name]
N-(3-{4-[(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}benzyl)-5-(1-piperidinylmethyl)-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-(3-{4-[(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}benzyl)-5-(1-piperidinylmethyl)-2-thiophenecarboxamide [ACD/IUPAC Name]
N-(3-{4-[(3,5-Diméthyl-1H-1,2,4-triazol-1-yl)méthyl]-1H-1,2,3-triazol-1-yl}benzyl)-5-(1-pipéridinylméthyl)-2-thiophènecarboxamide [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: 1.714
Molar Refractivity: 140.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.06
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 3.99
ACD/KOC (pH 7.4): 47.01
Polar Surface Area: 122 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 57.8±7.0 dyne/cm
Molar Volume: 358.0±7.0 cm3

Click to predict properties on the Chemicalize site


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