ChemSpider 2D Image | Methyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(2-fluoro-5-methoxyphenyl)-4H-pyran-3-carboxylate | C27H25FN4O4S

Methyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(2-fluoro-5-methoxyphenyl)-4H-pyran-3-carboxylate

  • Molecular FormulaC27H25FN4O4S
  • Average mass520.575 Da
  • Monoisotopic mass520.158081 Da
  • ChemSpider ID2854294

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

4H-Pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]methyl]-4-(2-fluoro-5-methoxyphenyl)-, methyl ester [ACD/Index Name]
6-Amino-5-cyano-2-{[(3-cyano-6,7,8,9-tétrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]méthyl}-4-(2-fluoro-5-méthoxyphényl)-4H-pyrane-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(2-fluoro-5-methoxyphenyl)-4H-pyran-3-carboxylate [ACD/IUPAC Name]
Methyl-6-amino-5-cyan-2-{[(3-cyan-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(2-fluor-5-methoxyphenyl)-4H-pyran-3-carboxylat [German] [ACD/IUPAC Name]
445384-60-1 [RN]
METHYL 6-AMINO-5-CYANO-2-(((3-CYANO-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA(B)PYRIDIN-2-YL)SULFANYL)METHYL)-4-(2-FLUORO-5-METHOXYPHENYL)-4H-PYRAN-3-CARBOXYLATE
methyl 6-amino-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4-(2-fluoro-5-methoxyphenyl)-4H-pyran-3-carboxylate
methyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-(2-fluoro-5-methoxyphenyl)-4H-pyran-3-carboxylate
MFCD03234657 [MDL number]
SS-0543
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AM-807/14957358 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 713.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.3±3.0 kJ/mol
    Flash Point: 385.2±32.9 °C
    Index of Refraction: 1.641
    Molar Refractivity: 135.1±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 5.09
    ACD/LogD (pH 5.5): 4.53
    ACD/BCF (pH 5.5): 1644.35
    ACD/KOC (pH 5.5): 6973.51
    ACD/LogD (pH 7.4): 4.53
    ACD/BCF (pH 7.4): 1646.41
    ACD/KOC (pH 7.4): 6982.21
    Polar Surface Area: 157 Å2
    Polarizability: 53.6±0.5 10-24cm3
    Surface Tension: 69.4±5.0 dyne/cm
    Molar Volume: 374.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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