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Search term: KTTHVCJSRNMDJY-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl 4-(3,4-difluorophenyl)-6-methyl-2-oxo-3-[(3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}propyl)carbamoyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C28H30F5N5O4

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

  • Molecular FormulaC28H30F5N5O4
  • Average mass595.561 Da
  • Monoisotopic mass595.221802 Da
  • ChemSpider ID8802692

More details:

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

4-(3,4-Difluorophényl)-6-méthyl-2-oxo-3-[(3-{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}propyl)carbamoyl]-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-2-oxo-1-[[[3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propyl]amino]carbonyl]-, methyl ester [ACD/Index Name]
Methyl 4-(3,4-difluorophenyl)-6-methyl-2-oxo-3-[(3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}propyl)carbamoyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
methyl 4-(3,4-difluorophenyl)-6-methyl-2-oxo-3-[(3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)carbamoyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Methyl-4-(3,4-difluorphenyl)-6-methyl-2-oxo-3-[(3-{4-[3-(trifluormethyl)phenyl]-1-piperazinyl}propyl)carbamoyl]-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
4-(3,4-Difluoro-phenyl)-6-methyl-2-oxo-3-{3-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-propylcarbamoyl}-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
CHEMBL145525

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: 1.543
Molar Refractivity: 140.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 24.32
ACD/KOC (pH 5.5): 126.94
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 563.22
ACD/KOC (pH 7.4): 2939.25
Polar Surface Area: 94 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 444.9±3.0 cm3

Click to predict properties on the Chemicalize site


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