ChemSpider 2D Image | 3-[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-piperidinyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine | C17H24N6S

3-[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-piperidinyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

  • Molecular FormulaC17H24N6S
  • Average mass344.478 Da
  • Monoisotopic mass344.178314 Da
  • ChemSpider ID30453793

More details:

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

3-[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-piperidinyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin [German] [ACD/IUPAC Name]
3-[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-piperidinyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine [ACD/IUPAC Name]
3-[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-pipéridinyl]-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépine [French] [ACD/IUPAC Name]
5H-1,2,4-Triazolo[4,3-a]azepine, 3-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-piperidinyl]-6,7,8,9-tetrahydro- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 581.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.6±32.9 °C
Index of Refraction: 1.831
Molar Refractivity: 96.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 3.80
ACD/KOC (pH 5.5): 52.56
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 23.91
ACD/KOC (pH 7.4): 330.92
Polar Surface Area: 88 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 70.5±7.0 dyne/cm
Molar Volume: 218.6±7.0 cm3

Click to predict properties on the Chemicalize site


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