ChemSpider 2D Image | L-771688 | C28H33F2N5O5

L-771688

  • Molecular FormulaC28H33F2N5O5
  • Average mass557.589 Da
  • Monoisotopic mass557.244995 Da
  • ChemSpider ID8372047

More details:

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

4-(3,4-Difluorophényl)-6-(méthoxyméthyl)-2-oxo-3-({3-[4-(2-pyridinyl)-1-pipéridinyl]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-(methoxymethyl)-2-oxo-1-[[[3-[4-(2-pyridinyl)-1-piperidinyl]propyl]amino]carbonyl]-, methyl ester [ACD/Index Name]
L-771688
Methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3-({3-[4-(2-pyridinyl)-1-piperidinyl]propyl}carbamoyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-4-(3,4-difluorphenyl)-6-(methoxymethyl)-2-oxo-3-({3-[4-(2-pyridinyl)-1-piperidinyl]propyl}carbamoyl)-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
200050-59-5 [RN]
391610-37-0 [RN]
mchr1 antagonist 1
methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3-((3-(4-(pyridin-2-yl)piperidin-1-yl)propyl)carbamoyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3-[3-(4-pyridin-2-ylpiperidin-1-yl)propylcarbamoyl]-1,4-dihydropyrimidine-5-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

IW9MH6LGKH [DBID]

    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: 1.557
    Molar Refractivity: 140.8±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 2.12
    ACD/LogD (pH 5.5): -0.18
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.09
    ACD/LogD (pH 7.4): 1.54
    ACD/BCF (pH 7.4): 5.06
    ACD/KOC (pH 7.4): 57.80
    Polar Surface Area: 113 Å2
    Polarizability: 55.8±0.5 10-24cm3
    Surface Tension: 48.0±3.0 dyne/cm
    Molar Volume: 437.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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