ChemSpider 2D Image | {3-[4-Methyl-5-(1-piperidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}(4-methyl-1,2,3-thiadiazol-5-yl)methanone | C18H27N7OS

{3-[4-Methyl-5-(1-piperidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}(4-methyl-1,2,3-thiadiazol-5-yl)methanone

  • Molecular FormulaC18H27N7OS
  • Average mass389.518 Da
  • Monoisotopic mass389.199768 Da
  • ChemSpider ID29546011

More details:

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

{3-[4-Methyl-5-(1-piperidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}(4-methyl-1,2,3-thiadiazol-5-yl)methanon [German] [ACD/IUPAC Name]
{3-[4-Methyl-5-(1-piperidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}(4-methyl-1,2,3-thiadiazol-5-yl)methanone [ACD/IUPAC Name]
{3-[4-Méthyl-5-(1-pipéridinylméthyl)-4H-1,2,4-triazol-3-yl]-1-pipéridinyl}(4-méthyl-1,2,3-thiadiazol-5-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [3-[4-methyl-5-(1-piperidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl](4-methyl-1,2,3-thiadiazol-5-yl)- [ACD/Index Name]
3-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]piperidine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 617.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.4±34.3 °C
Index of Refraction: 1.731
Molar Refractivity: 107.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.86
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.15
ACD/KOC (pH 7.4): 52.99
Polar Surface Area: 108 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 60.5±7.0 dyne/cm
Molar Volume: 269.5±7.0 cm3

Click to predict properties on the Chemicalize site


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