ChemSpider 2D Image | {1-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidinyl}(1-piperazinyl)methanone | C12H18ClN5OS

{1-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidinyl}(1-piperazinyl)methanone

  • Molecular FormulaC12H18ClN5OS
  • Average mass315.822 Da
  • Monoisotopic mass315.092072 Da
  • ChemSpider ID36015861

More details:

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

{1-[(5-Chlor-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidinyl}(1-piperazinyl)methanon [German] [ACD/IUPAC Name]
{1-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidinyl}(1-piperazinyl)methanone [ACD/IUPAC Name]
{1-[(5-Chloro-1,3,4-thiadiazol-2-yl)méthyl]-2-pyrrolidinyl}(1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidinyl]-1-piperazinyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 519.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 267.9±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 78.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.08
Polar Surface Area: 90 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 226.8±3.0 cm3

Click to predict properties on the Chemicalize site


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