ChemSpider 2D Image | 1-[(1-Ethyl-4-methyl-1H-1,2,3-triazol-5-yl)methyl]-4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane | C14H23N7S

1-[(1-Ethyl-4-methyl-1H-1,2,3-triazol-5-yl)methyl]-4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane

  • Molecular FormulaC14H23N7S
  • Average mass321.444 Da
  • Monoisotopic mass321.173553 Da
  • ChemSpider ID64709917

More details:






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

1-[(1-Ethyl-4-methyl-1H-1,2,3-triazol-5-yl)methyl]-4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan [German] [ACD/IUPAC Name]
1-[(1-Ethyl-4-methyl-1H-1,2,3-triazol-5-yl)methyl]-4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane [ACD/IUPAC Name]
1-[(1-Éthyl-4-méthyl-1H-1,2,3-triazol-5-yl)méthyl]-4-(3-méthyl-1,2,4-thiadiazol-5-yl)-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1-[(1-ethyl-4-methyl-1H-1,2,3-triazol-5-yl)methyl]hexahydro-4-(3-methyl-1,2,4-thiadiazol-5-yl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 491.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 250.9±31.5 °C
Index of Refraction: 1.697
Molar Refractivity: 90.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.99
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.12
ACD/KOC (pH 7.4): 56.79
Polar Surface Area: 91 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 235.6±7.0 cm3

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