ChemSpider 2D Image | 1-{6-[(4-Bromophenyl)sulfanyl]-3-pyridazinyl}-N-cyclopentyl-4-piperidinecarboxamide | C21H25BrN4OS

1-{6-[(4-Bromophenyl)sulfanyl]-3-pyridazinyl}-N-cyclopentyl-4-piperidinecarboxamide

  • Molecular FormulaC21H25BrN4OS
  • Average mass461.418 Da
  • Monoisotopic mass460.093231 Da
  • ChemSpider ID29003268

More details:

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

1-{6-[(4-Bromophenyl)sulfanyl]-3-pyridazinyl}-N-cyclopentyl-4-piperidinecarboxamide [ACD/IUPAC Name]
1-{6-[(4-Bromophényl)sulfanyl]-3-pyridazinyl}-N-cyclopentyl-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-{6-[(4-Bromphenyl)sulfanyl]-3-pyridazinyl}-N-cyclopentyl-4-piperidincarboxamid [German] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[6-[(4-bromophenyl)thio]-3-pyridazinyl]-N-cyclopentyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 725.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.6±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 1002.28
ACD/KOC (pH 5.5): 4879.61
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1012.92
ACD/KOC (pH 7.4): 4931.46
Polar Surface Area: 83 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 316.2±5.0 cm3

Click to predict properties on the Chemicalize site


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