ChemSpider 2D Image | Methyl 3-({4-[4-(3-acetamidophenyl)-1-piperidinyl]butanoyl}amino)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C31H37F2N5O6

Methyl 3-({4-[4-(3-acetamidophenyl)-1-piperidinyl]butanoyl}amino)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC31H37F2N5O6
  • Average mass613.652 Da
  • Monoisotopic mass613.271179 Da
  • ChemSpider ID8027630

More details:

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

3-({4-[4-(3-Acétamidophényl)-1-pipéridinyl]butanoyl}amino)-4-(3,4-difluorophényl)-6-(méthoxyméthyl)-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 1-[[4-[4-[3-(acetylamino)phenyl]-1-piperidinyl]-1-oxobutyl]amino]-6-(3,4-difluorophenyl)-1,2,3,6-tetrahydro-4-(methoxymethyl)-2-oxo-, methyl ester [ACD/Index Name]
Methyl 3-({4-[4-(3-acetamidophenyl)-1-piperidinyl]butanoyl}amino)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-3-({4-[4-(3-acetamidophenyl)-1-piperidinyl]butanoyl}amino)-4-(3,4-difluorphenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]

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: 1.605
Molar Refractivity: 157.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.47
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.55
ACD/KOC (pH 7.4): 16.78
Polar Surface Area: 129 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 457.9±5.0 cm3

Click to predict properties on the Chemicalize site


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