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ChemSpider 2D Image | Methyl 3-({3-[4-cyano-4-(2-fluorophenyl)-1-piperidinyl]propyl}carbamoyl)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C30H32F3N5O5

Methyl 3-({3-[4-cyano-4-(2-fluorophenyl)-1-piperidinyl]propyl}carbamoyl)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC30H32F3N5O5
  • Average mass599.601 Da
  • Monoisotopic mass599.235535 Da
  • ChemSpider ID8921465

More details:

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

3-({3-[4-Cyano-4-(2-fluorophényl)-1-pipéridinyl]propyl}carbamoyl)-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-[[[3-[4-cyano-4-(2-fluorophenyl)-1-piperidinyl]propyl]amino]carbonyl]-6-(3,4-difluorophenyl)-1,2,3,6-tetrahydro-4-(methoxymethyl)-2-oxo-, methyl ester [ACD/Index Name]
Methyl 3-({3-[4-cyano-4-(2-fluorophenyl)-1-piperidinyl]propyl}carbamoyl)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
methyl 3-({3-[4-cyano-4-(2-fluorophenyl)piperidin-1-yl]propyl}carbamoyl)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Methyl-3-({3-[4-cyan-4-(2-fluorphenyl)-1-piperidinyl]propyl}carbamoyl)-4-(3,4-difluorphenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
3-{3-[4-Cyano-4-(2-fluoro-phenyl)-piperidin-1-yl]-propylcarbamoyl}-4-(3,4-difluoro-phenyl)-6-methoxymethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
CHEMBL145134

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: 1.601
Molar Refractivity: 149.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 11.17
ACD/KOC (pH 5.5): 82.62
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 185.42
ACD/KOC (pH 7.4): 1371.13
Polar Surface Area: 124 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 435.8±5.0 cm3

Click to predict properties on the Chemicalize site


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