ChemSpider 2D Image | Ethyl 4-[({5-[(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-1-piperazinecarboxylate | C24H29N7O6S

Ethyl 4-[({5-[(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-1-piperazinecarboxylate

  • Molecular FormulaC24H29N7O6S
  • Average mass543.595 Da
  • Monoisotopic mass543.190002 Da
  • ChemSpider ID3545104

More details:






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

1-Piperazinecarboxylic acid, 4-[2-[[4-(4-ethoxyphenyl)-5-[(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)methyl]-4H-1,2,4-triazol-3-yl]thio]acetyl]-, ethyl ester [ACD/Index Name]
4-[2-({5-[(2,6-Dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl)méthyl]-4-(4-éthoxyphényl)-4H-1,2,4-triazol-3-yl}sulfanyl)acétyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[({5-[(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[({5-[(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 140.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.24
ACD/KOC (pH 5.5): 143.38
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.30
ACD/KOC (pH 7.4): 104.94
Polar Surface Area: 173 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 61.9±7.0 dyne/cm
Molar Volume: 370.4±7.0 cm3

Click to predict properties on the Chemicalize site






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