ChemSpider 2D Image | Diethyl 5-({[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxo-1(6H)-pyrimidinyl]acetyl}amino)-3-methyl-2,4-thiophenedicarboxylate | C25H31N5O6S

Diethyl 5-({[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxo-1(6H)-pyrimidinyl]acetyl}amino)-3-methyl-2,4-thiophenedicarboxylate

  • Molecular FormulaC25H31N5O6S
  • Average mass529.609 Da
  • Monoisotopic mass529.199524 Da
  • ChemSpider ID18415097

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[[2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxo-1(6H)-pyrimidinyl]acetyl]amino]-3-methyl-, diethyl ester [ACD/Index Name]
5-({2-[2-(3,5-Diméthyl-1H-pyrazol-1-yl)-5-éthyl-4-méthyl-6-oxo-1(6H)-pyrimidinyl]acétyl}amino)-3-méthyl-2,4-thiophènedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5-({[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxo-1(6H)-pyrimidinyl]acetyl}amino)-3-methyl-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Diethyl-5-({[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxo-1(6H)-pyrimidinyl]acetyl}amino)-3-methyl-2,4-thiophendicarboxylat [German] [ACD/IUPAC Name]
1019105-87-3 [RN]
2,4-diethyl 5-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl]acetamido}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-(2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1(6H)-yl)acetamido)-3-methylthiophene-2,4-dicarboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 139.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 851.26
ACD/KOC (pH 5.5): 4354.49
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 851.25
ACD/KOC (pH 7.4): 4354.44
Polar Surface Area: 160 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 395.2±7.0 cm3

Click to predict properties on the Chemicalize site


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