ChemSpider 2D Image | KN-62 | C38H35N5O6S2

KN-62

  • Molecular FormulaC38H35N5O6S2
  • Average mass721.844 Da
  • Monoisotopic mass721.202881 Da
  • ChemSpider ID3706

More details:

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

4-[2-(N-methylisoquinoline-5-sulfonamido)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl isoquinoline-5-sulfonate
4-{2-[(5-Isochinolinylsulfonyl)(methyl)amino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl}phenyl-5-isochinolinsulfonat [German] [ACD/IUPAC Name]
4-{2-[(5-Isoquinolinylsulfonyl)(methyl)amino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl}phenyl 5-isoquinolinesulfonate [ACD/IUPAC Name]
4-{2-[(Isoquinolin-5-ylsulfonyl)(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl}phenyl isoquinoline-5-sulfonate
5-Isoquinoléinesulfonate de 4-{2-[(5-isoquinoléinylsulfonyl)(méthyl)amino]-3-oxo-3-(4-phényl-1-pipérazinyl)propyl}phényle [French] [ACD/IUPAC Name]
5-isoquinolinesulfonic acid [4-[2-[5-isoquinolinylsulfonyl(methyl)amino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl] ester
5-Isoquinolinesulfonic acid, 4-[2-[(5-isoquinolinylsulfonyl)methylamino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl ester [ACD/Index Name]
[4-[(2S)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate
[4-[2-(5-isoquinolylsulfonyl-methyl-amino)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate
[4-[2-(isoquinolin-5-ylsulfonyl-methylamino)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

KN-62 [DBID] [Wiki]
63HM46XPOW [DBID]
Bio2_000421 [DBID]
Bio2_000901 [DBID]
BiomolKI_000040 [DBID]
BiomolKI2_000048 [DBID]
BSPBio_001181 [DBID]
CHEMBL130321 [DBID]
IDI1_002176 [DBID]
KBio2_000521 [DBID]
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 964.7±75.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 140.7±3.0 kJ/mol
    Flash Point: 537.3±37.1 °C
    Index of Refraction: 1.686
    Molar Refractivity: 197.7±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 3
    ACD/LogP: 5.23
    ACD/LogD (pH 5.5): 5.12
    ACD/BCF (pH 5.5): 4500.48
    ACD/KOC (pH 5.5): 14131.43
    ACD/LogD (pH 7.4): 5.14
    ACD/BCF (pH 7.4): 4737.22
    ACD/KOC (pH 7.4): 14874.78
    Polar Surface Area: 147 Å2
    Polarizability: 78.4±0.5 10-24cm3
    Surface Tension: 65.2±3.0 dyne/cm
    Molar Volume: 519.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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