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Search term: JHAYORQLJMSTOO-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl 3-({3-[4-(2-carbamoylphenyl)-1-piperazinyl]propyl}carbamoyl)-6-(methoxymethyl)-2-oxo-4-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C29H33F3N6O6

Methyl 3-({3-[4-(2-carbamoylphenyl)-1-piperazinyl]propyl}carbamoyl)-6-(methoxymethyl)-2-oxo-4-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC29H33F3N6O6
  • Average mass618.604 Da
  • Monoisotopic mass618.241394 Da
  • ChemSpider ID8922529

More details:

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

3-({3-[4-(2-Carbamoylphényl)-1-pipérazinyl]propyl}carbamoyl)-6-(méthoxyméthyl)-2-oxo-4-(2,4,5-trifluorophényl)-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 1-[[[3-[4-[2-(aminocarbonyl)phenyl]-1-piperazinyl]propyl]amino]carbonyl]-1,2,3,6-tetrahydro-4-(methoxymethyl)-2-oxo-6-(2,4,5-trifluorophenyl)-, methyl ester [ACD/Index Name]
Methyl 3-({3-[4-(2-carbamoylphenyl)-1-piperazinyl]propyl}carbamoyl)-6-(methoxymethyl)-2-oxo-4-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
methyl 3-({3-[4-(2-carbamoylphenyl)piperazin-1-yl]propyl}carbamoyl)-6-(methoxymethyl)-2-oxo-4-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Methyl-3-({3-[4-(2-carbamoylphenyl)-1-piperazinyl]propyl}carbamoyl)-6-(methoxymethyl)-2-oxo-4-(2,4,5-trifluorphenyl)-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
3-{3-[4-(2-Carbamoyl-phenyl)-piperazin-1-yl]-propylcarbamoyl}-6-methoxymethyl-2-oxo-4-(2,4,5-trifluoro-phenyl)-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
CHEMBL145072

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.571
Molar Refractivity: 150.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.98
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 13.92
ACD/KOC (pH 7.4): 176.04
Polar Surface Area: 147 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 458.3±3.0 cm3

Click to predict properties on the Chemicalize site


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