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Search term: HUFOZJXAKZVRNJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Rociletinib | C27H28F3N7O3

Rociletinib

  • Molecular FormulaC27H28F3N7O3
  • Average mass555.552 Da
  • Monoisotopic mass555.220581 Da
  • ChemSpider ID30646712

More details:

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

. N-(3-{[2-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5- (trifluoromethyl)pyrimidin-4-yl]amino}phenyl)prop-2-enamide
1374640-70-6 [RN]
2-Propenamide, N-[3-[[2-[[4-(4-acetyl-1-piperazinyl)-2-methoxyphenyl]amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]phenyl]- [ACD/Index Name]
72AH61702G
CO 1686
CO-1686
N-(3-{[2-{[4-(4-Acetyl-1-piperazinyl)-2-methoxyphenyl]amino}-5-(trifluormethyl)-4-pyrimidinyl]amino}phenyl)acrylamid [German] [ACD/IUPAC Name]
N-(3-{[2-{[4-(4-Acetyl-1-piperazinyl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)-4-pyrimidinyl]amino}phenyl)acrylamide [ACD/IUPAC Name]
N-(3-{[2-{[4-(4-Acétyl-1-pipérazinyl)-2-méthoxyphényl]amino}-5-(trifluorométhyl)-4-pyrimidinyl]amino}phényl)acrylamide [French] [ACD/IUPAC Name]
N-{3-[(2-{[4-(4-ACETYLPIPERAZIN-1-YL)-2-METHOXYPHENYL]AMINO}-5-(TRIFLUOROMETHYL)PYRIMIDIN-4-YL)AMINO]PHENYL}PROP-2-ENAMIDE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9986 [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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.632
    Molar Refractivity: 144.4±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 2.38
    ACD/LogD (pH 5.5): 3.06
    ACD/BCF (pH 5.5): 122.35
    ACD/KOC (pH 5.5): 1073.98
    ACD/LogD (pH 7.4): 3.07
    ACD/BCF (pH 7.4): 127.25
    ACD/KOC (pH 7.4): 1116.99
    Polar Surface Area: 112 Å2
    Polarizability: 57.3±0.5 10-24cm3
    Surface Tension: 59.8±3.0 dyne/cm
    Molar Volume: 404.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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