ChemSpider 2D Image | (2R)-4-(2,6-Dimethoxy-4-pyrimidinyl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-piperazinecarboxamide | C26H28F3N5O7S

(2R)-4-(2,6-Dimethoxy-4-pyrimidinyl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-piperazinecarboxamide

  • Molecular FormulaC26H28F3N5O7S
  • Average mass611.590 Da
  • Monoisotopic mass611.166138 Da
  • ChemSpider ID26325376

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-4-(2,6-Dimethoxy-4-pyrimidinyl)-N-(4-methoxybenzyl)-1-{[4-(trifluormethoxy)phenyl]sulfonyl}-2-piperazincarboxamid [German] [ACD/IUPAC Name]
(2R)-4-(2,6-Dimethoxy-4-pyrimidinyl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-piperazinecarboxamide [ACD/IUPAC Name]
(2R)-4-(2,6-Diméthoxy-4-pyrimidinyl)-N-(4-méthoxybenzyl)-1-{[4-(trifluorométhoxy)phényl]sulfonyl}-2-pipérazinecarboxamide [French] [ACD/IUPAC Name]
(2r)-4-(2,6-Dimethoxypyrimidin-4-Yl)-N-(4-Methoxybenzyl)-1-{[4-(Trifluoromethoxy)phenyl]sulfonyl}piperazine-2-Carboxamide
2-Piperazinecarboxamide, 4-(2,6-dimethoxy-4-pyrimidinyl)-N-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethoxy)phenyl]sulfonyl]-, (2R)- [ACD/Index Name]
26F

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.567
Molar Refractivity: 143.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 28.31
ACD/KOC (pH 5.5): 261.13
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 103.25
ACD/KOC (pH 7.4): 952.51
Polar Surface Area: 141 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 439.6±3.0 cm3

Click to predict properties on the Chemicalize site


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