ChemSpider 2D Image | (2R)-4-(2,6-Dimethoxy-4-pyrimidinyl)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)-2-piperazinecarboxamide | C27H33N5O6S

(2R)-4-(2,6-Dimethoxy-4-pyrimidinyl)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)-2-piperazinecarboxamide

  • Molecular FormulaC27H33N5O6S
  • Average mass555.646 Da
  • Monoisotopic mass555.215149 Da
  • ChemSpider ID26325377
  • 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)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)-2-piperazincarboxamid [German] [ACD/IUPAC Name]
(2R)-4-(2,6-Dimethoxy-4-pyrimidinyl)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)-2-piperazinecarboxamide [ACD/IUPAC Name]
(2R)-4-(2,6-Diméthoxy-4-pyrimidinyl)-1-[(4-éthylphényl)sulfonyl]-N-(4-méthoxybenzyl)-2-pipérazinecarboxamide [French] [ACD/IUPAC Name]
(2r)-4-(2,6-Dimethoxypyrimidin-4-Yl)-1-[(4-Ethylphenyl)sulfonyl]-N-(4-Methoxybenzyl)piperazine-2-Carboxamide
2-Piperazinecarboxamide, 4-(2,6-dimethoxy-4-pyrimidinyl)-1-[(4-ethylphenyl)sulfonyl]-N-[(4-methoxyphenyl)methyl]-, (2R)- [ACD/Index Name]
26S

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.592
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 33.00
ACD/KOC (pH 5.5): 291.46
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 120.38
ACD/KOC (pH 7.4): 1063.16
Polar Surface Area: 132 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 432.1±3.0 cm3

Click to predict properties on the Chemicalize site






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