ChemSpider 2D Image | 4-[({(2Z)-3-(3,4-Dimethoxybenzyl)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid | C28H27N3O7S

4-[({(2Z)-3-(3,4-Dimethoxybenzyl)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid

  • Molecular FormulaC28H27N3O7S
  • Average mass549.595 Da
  • Monoisotopic mass549.156982 Da
  • ChemSpider ID3475898

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[({(2Z)-3-(3,4-Dimethoxybenzyl)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoesäure [German] [ACD/IUPAC Name]
4-[({(2Z)-3-(3,4-Dimethoxybenzyl)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid [ACD/IUPAC Name]
Acide 4-[({(2Z)-3-(3,4-diméthoxybenzyl)-2-[(4-méthoxyphényl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[(2Z)-3-[(3,4-dimethoxyphenyl)methyl]tetrahydro-2-[(4-methoxyphenyl)imino]-4-oxo-2H-1,3-thiazin-6-yl]carbonyl]amino]- [ACD/Index Name]
(Z)-4-(3-(3,4-dimethoxybenzyl)-2-((4-methoxyphenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid
4-{[3-(3,4-Dimethoxy-benzyl)-2-(4-methoxy-phenylimino)-4-oxo-[1,3]thiazinane-6-carbonyl]-amino}-benzoic acid
522637-56-5 [RN]

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

A2970/0125144 [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: 1.634
    Molar Refractivity: 146.3±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 3.40
    ACD/LogD (pH 5.5): 2.09
    ACD/BCF (pH 5.5): 10.90
    ACD/KOC (pH 5.5): 80.09
    ACD/LogD (pH 7.4): 0.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.28
    Polar Surface Area: 152 Å2
    Polarizability: 58.0±0.5 10-24cm3
    Surface Tension: 51.6±7.0 dyne/cm
    Molar Volume: 409.3±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement