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Search term: JCWKQYAUPMXURC-SMFUYQKNSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl 4-(3,4-difluorophenyl)-6-methyl-3-({3-[(2R)-2-methyl-4-(2-nitrophenyl)-1-piperazinyl]propyl}carbamoyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C28H32F2N6O6

Methyl 4-(3,4-difluorophenyl)-6-methyl-3-({3-[(2R)-2-methyl-4-(2-nitrophenyl)-1-piperazinyl]propyl}carbamoyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC28H32F2N6O6
  • Average mass586.587 Da
  • Monoisotopic mass586.235168 Da
  • ChemSpider ID8873912

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

4-(3,4-Difluorophényl)-6-méthyl-3-({3-[(2R)-2-méthyl-4-(2-nitrophényl)-1-pipérazinyl]propyl}carbamoyl)-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 6-(3,4-difluorophenyl)-1,2,3,6-tetrahydro-4-methyl-1-[[[3-[(2R)-2-methyl-4-(2-nitrophenyl)-1-piperazinyl]propyl]amino]carbonyl]-2-oxo-, methyl ester [ACD/Index Name]
Methyl 4-(3,4-difluorophenyl)-6-methyl-3-({3-[(2R)-2-methyl-4-(2-nitrophenyl)-1-piperazinyl]propyl}carbamoyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
methyl 4-(3,4-difluorophenyl)-6-methyl-3-({3-[(2R)-2-methyl-4-(2-nitrophenyl)piperazin-1-yl]propyl}carbamoyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Methyl-4-(3,4-difluorphenyl)-6-methyl-3-({3-[(2R)-2-methyl-4-(2-nitrophenyl)-1-piperazinyl]propyl}carbamoyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
4-(3,4-Difluoro-phenyl)-6-methyl-3-{3-[(R)-2-methyl-4-(2-nitro-phenyl)-piperazin-1-yl]-propylcarbamoyl}-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
CHEMBL341849
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL341849/

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: 1.575
Molar Refractivity: 146.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 8.53
ACD/KOC (pH 5.5): 52.54
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 265.76
ACD/KOC (pH 7.4): 1636.21
Polar Surface Area: 140 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 443.2±3.0 cm3

Click to predict properties on the Chemicalize site


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