ChemSpider 2D Image | N-[5-(Adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinecarboxamide | C23H28N8OS

N-[5-(Adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinecarboxamide

  • Molecular FormulaC23H28N8OS
  • Average mass464.586 Da
  • Monoisotopic mass464.210663 Da
  • ChemSpider ID31429978

More details:

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

4-Piperidinecarboxamide, 1-(1,2,4-triazolo[4,3-b]pyridazin-6-yl)-N-(5-tricyclo[3.3.1.13,7]dec-1-yl-1,3,4-thiadiazol-2-yl)- [ACD/Index Name]
N-[5-(Adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[5-(Adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinecarboxamide [ACD/IUPAC Name]
N-[5-(Adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.906
Molar Refractivity: 126.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.06
ACD/KOC (pH 5.5): 442.23
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.50
ACD/KOC (pH 7.4): 447.70
Polar Surface Area: 129 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 83.5±7.0 dyne/cm
Molar Volume: 269.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement