ChemSpider 2D Image | GLPG0187 | C29H37N7O5S

GLPG0187

  • Molecular FormulaC29H37N7O5S
  • Average mass595.713 Da
  • Monoisotopic mass595.257690 Da
  • ChemSpider ID52085532

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-({2,5-dimethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl}amino)-2-(4-methoxybenzenesulfonamido)propanoic acid
1320346-97-1 [RN]
3-({2,5-Dimethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-1-piperidinyl]-4-pyrimidinyl}amino)-N-[(4-methoxyphenyl)sulfonyl]-L-alanin [German] [ACD/IUPAC Name]
3-({2,5-Dimethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-1-piperidinyl]-4-pyrimidinyl}amino)-N-[(4-methoxyphenyl)sulfonyl]-L-alanine [ACD/IUPAC Name]
3-({2,5-Diméthyl-6-[4-(5,6,7,8-tétrahydro-1,8-naphtyridin-2-yl)-1-pipéridinyl]-4-pyrimidinyl}amino)-N-[(4-méthoxyphényl)sulfonyl]-L-alanine [French] [ACD/IUPAC Name]
GLPG0187
GLPG-0187
L-Alanine, 3-[[2,5-dimethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-1-piperidinyl]-4-pyrimidinyl]amino]-N-[(4-methoxyphenyl)sulfonyl]- [ACD/Index Name]
(2S)-3-[[2,5-dimethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
(S)-3-((2,5-dimethyl-6-(4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl)pyrimidin-4-yl)amino)-2-((4-methoxyphenyl)sulfonamido)propanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

43A5P87Z4T [DBID]
UNII:43A5P87Z4T [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: 872.8±75.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 132.9±3.0 kJ/mol
    Flash Point: 481.6±37.1 °C
    Index of Refraction: 1.621
    Molar Refractivity: 157.3±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 4
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 4.94
    ACD/LogD (pH 5.5): 1.00
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.64
    ACD/LogD (pH 7.4): 1.67
    ACD/BCF (pH 7.4): 2.60
    ACD/KOC (pH 7.4): 12.47
    Polar Surface Area: 167 Å2
    Polarizability: 62.4±0.5 10-24cm3
    Surface Tension: 62.6±3.0 dyne/cm
    Molar Volume: 447.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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