ChemSpider 2D Image | N-{[5-{[2-(Dimethylamino)ethyl]sulfanyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-1-methyl-2-piperidinecarboxamide | C21H32N6O2S

N-{[5-{[2-(Dimethylamino)ethyl]sulfanyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-1-methyl-2-piperidinecarboxamide

  • Molecular FormulaC21H32N6O2S
  • Average mass432.583 Da
  • Monoisotopic mass432.230743 Da
  • ChemSpider ID22207131

More details:

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

2-Piperidinecarboxamide, N-[[5-[[2-(dimethylamino)ethyl]thio]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl]-1-methyl- [ACD/Index Name]
N-{[5-{[2-(Dimethylamino)ethyl]sulfanyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-1-methyl-2-piperidincarboxamid [German] [ACD/IUPAC Name]
N-{[5-{[2-(Dimethylamino)ethyl]sulfanyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-1-methyl-2-piperidinecarboxamide [ACD/IUPAC Name]
N-{[5-{[2-(Diméthylamino)éthyl]sulfanyl}-4-(3-méthoxyphényl)-4H-1,2,4-triazol-3-yl]méthyl}-1-méthyl-2-pipéridinecarboxamide [French] [ACD/IUPAC Name]
N-{[5-{[2-(dimethylamino)ethyl]thio}-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-1-methyl-2-piperidinecarboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 122.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.27
Polar Surface Area: 101 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 346.2±7.0 cm3

Click to predict properties on the Chemicalize site


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