ChemSpider 2D Image | N-(1,3-Benzothiazol-2-yl)-4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide | C28H29N3O4S

N-(1,3-Benzothiazol-2-yl)-4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

  • Molecular FormulaC28H29N3O4S
  • Average mass503.613 Da
  • Monoisotopic mass503.187866 Da
  • ChemSpider ID2558967

More details:

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

3-Quinolinecarboxamide, N-2-benzothiazolyl-4-(2,3-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo- [ACD/Index Name]
N-(1,3-Benzothiazol-2-yl)-4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxamid [German] [ACD/IUPAC Name]
N-(1,3-Benzothiazol-2-yl)-4-(2,3-diméthoxyphényl)-2,7,7-triméthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxamide [French] [ACD/IUPAC Name]
N-(1,3-Benzothiazol-2-yl)-4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide [ACD/IUPAC Name]
361194-05-0 [RN]
AC1MNWVR
AGN-PC-0JZI8I
CHEMBL1571893
MolPort-002-832-474
N-(1,3-benzothiazol-2-yl)-4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AN-919/15231032 [DBID]
MLS000545573 [DBID]
SMR000161041 [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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.660
    Molar Refractivity: 140.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 4.81
    ACD/LogD (pH 5.5): 4.71
    ACD/BCF (pH 5.5): 2243.53
    ACD/KOC (pH 5.5): 8712.97
    ACD/LogD (pH 7.4): 4.71
    ACD/BCF (pH 7.4): 2228.07
    ACD/KOC (pH 7.4): 8652.93
    Polar Surface Area: 118 Å2
    Polarizability: 55.6±0.5 10-24cm3
    Surface Tension: 61.5±5.0 dyne/cm
    Molar Volume: 379.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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