ChemSpider 2D Image | Ethyl 4-[({4-(2,5-dimethylphenyl)-5-[(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-1-piperazinecarboxylate | C24H29N7O5S

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

  • Molecular FormulaC24H29N7O5S
  • Average mass527.596 Da
  • Monoisotopic mass527.195068 Da
  • ChemSpider ID2681001

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[[4-(2,5-dimethylphenyl)-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-({4-(2,5-Diméthylphényl)-5-[(2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl)méthyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acétyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[({4-(2,5-dimethylphenyl)-5-[(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[({4-(2,5-dimethylphenyl)-5-[(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)methyl]-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, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.692
Molar Refractivity: 139.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.79
ACD/KOC (pH 5.5): 215.48
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 9.36
ACD/KOC (pH 7.4): 157.62
Polar Surface Area: 164 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 363.0±7.0 cm3

Click to predict properties on the Chemicalize site


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