ChemSpider 2D Image | tas-115 | C27H23FN4O4S

tas-115

  • Molecular FormulaC27H23FN4O4S
  • Average mass518.559 Da
  • Monoisotopic mass518.142395 Da
  • ChemSpider ID58796450

More details:

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

4-(2-Fluor-4-{[(phenylacetyl)carbamothioyl]amino}phenoxy)-7-methoxy-N-methyl-6-chinolincarboxamid [German] [ACD/IUPAC Name]
4-(2-Fluoro-4-{[(2-phénylacétyl)carbamothioyl]amino}phénoxy)-7-méthoxy-N-méthyl-6-quinoléinecarboxamide [French] [ACD/IUPAC Name]
4-(2-Fluoro-4-{[(phenylacetyl)carbamothioyl]amino}phenoxy)-7-methoxy-N-methyl-6-quinolinecarboxamide [ACD/IUPAC Name]
6-Quinolinecarboxamide, 4-[2-fluoro-4-[[[(2-phenylacetyl)amino]thioxomethyl]amino]phenoxy]-7-methoxy-N-methyl- [ACD/Index Name]
tas-115
1190836-34-0 [RN]
1190836-34-0 (free base)
4-(2-fluoro-4-(3-(2-phenylacetyl)thioureido)phenoxy)-7-methoxy-N-methylquinoline-6-carboxamide
4-(2-FLUORO-4-{[(2-PHENYLACETAMIDO)METHANETHIOYL]AMINO}PHENOXY)-7-METHOXY-N-METHYLQUINOLINE-6-CARBOXAMIDE
4-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

H2OL3Q4XRD [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: 1.678
    Molar Refractivity: 143.2±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.38
    ACD/LogD (pH 5.5): 3.76
    ACD/BCF (pH 5.5): 418.53
    ACD/KOC (pH 5.5): 2569.31
    ACD/LogD (pH 7.4): 3.79
    ACD/BCF (pH 7.4): 444.42
    ACD/KOC (pH 7.4): 2728.29
    Polar Surface Area: 134 Å2
    Polarizability: 56.8±0.5 10-24cm3
    Surface Tension: 61.3±3.0 dyne/cm
    Molar Volume: 380.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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