ChemSpider 2D Image | (2R)-4-(6-Chloro-3-pyridazinyl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-piperazinecarboxamide | C24H23ClF3N5O5S

(2R)-4-(6-Chloro-3-pyridazinyl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-piperazinecarboxamide

  • Molecular FormulaC24H23ClF3N5O5S
  • Average mass585.983 Da
  • Monoisotopic mass585.106079 Da
  • ChemSpider ID26325588

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-4-(6-Chlor-3-pyridazinyl)-N-(4-methoxybenzyl)-1-{[4-(trifluormethoxy)phenyl]sulfonyl}-2-piperazincarboxamid [German] [ACD/IUPAC Name]
(2R)-4-(6-Chloro-3-pyridazinyl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-piperazinecarboxamide [ACD/IUPAC Name]
(2R)-4-(6-Chloro-3-pyridazinyl)-N-(4-méthoxybenzyl)-1-{[4-(trifluorométhoxy)phényl]sulfonyl}-2-pipérazinecarboxamide [French] [ACD/IUPAC Name]
(2r)-4-(6-Chloropyridazin-3-Yl)-N-(4-Methoxybenzyl)-1-{[4-(Trifluoromethoxy)phenyl]sulfonyl}piperazine-2-Carboxamide
2-Piperazinecarboxamide, 4-(6-chloro-3-pyridazinyl)-N-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethoxy)phenyl]sulfonyl]-, (2R)- [ACD/Index Name]
46F

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.588
Molar Refractivity: 135.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 215.95
ACD/KOC (pH 5.5): 1626.34
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 218.26
ACD/KOC (pH 7.4): 1643.72
Polar Surface Area: 122 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 403.6±3.0 cm3

Click to predict properties on the Chemicalize site


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