ChemSpider 2D Image | Methyl 3-{[3-(4-cyano-4-phenyl-1-piperidinyl)propyl]carbamoyl}-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C30H33F2N5O5

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

  • Molecular FormulaC30H33F2N5O5
  • Average mass581.610 Da
  • Monoisotopic mass581.244995 Da
  • ChemSpider ID8802453

More details:

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

3-{[3-(4-Cyano-4-phényl-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-phenyl-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-phenyl-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-phenylpiperidin-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-phenyl-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-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
CHEMBL142929

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: 1.608
Molar Refractivity: 149.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 6.22
ACD/KOC (pH 5.5): 47.36
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 147.35
ACD/KOC (pH 7.4): 1121.90
Polar Surface Area: 124 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 431.5±5.0 cm3

Click to predict properties on the Chemicalize site


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