ChemSpider 2D Image | N~2~-[(2S)-2-(3,5-Difluorophenyl)-2-hydroxyacetyl]-N-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)-L-alaninamide | C26H23F2N3O4

N2-[(2S)-2-(3,5-Difluorophenyl)-2-hydroxyacetyl]-N-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)-L-alaninamide

  • Molecular FormulaC26H23F2N3O4
  • Average mass479.475 Da
  • Monoisotopic mass479.165649 Da
  • ChemSpider ID57425284

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Benzeneacetamide, N-[(1S)-2-[(6,7-dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl)amino]-1-methyl-2-oxoethyl]-3,5-difluoro-α-hydroxy-, (αS)- [ACD/Index Name]
N2-[(2S)-2-(3,5-Difluorophenyl)-2-hydroxyacetyl]-N-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)-L-alaninamide [ACD/IUPAC Name]
N2-[(2S)-2-(3,5-Difluorophényl)-2-hydroxyacétyl]-N-(5-méthyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azépin-7-yl)-L-alaninamide [French] [ACD/IUPAC Name]
N2-[(2S)-2-(3,5-Difluorphenyl)-2-hydroxyacetyl]-N-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)-L-alaninamid [German] [ACD/IUPAC Name]
(2S)-2-((S)-2-(3,5-difluorophenyl)-2-hydroxyacetamido)-N-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)propanamide
(2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)propanamide
(S)-2-[(S)-2-(3,5-Difluoro-phenyl)-2-hydroxy-acetylamino]-N-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)-propionamide
1103722-91-3 [RN]
Benzeneacetamide, N-[(1S)-2-[(6,7-dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl)amino]-1-methyl-2-oxoethyl]-3,5-difluoro-??-hydroxy-,(??S)-
CS-14607
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 836.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 127.3±3.0 kJ/mol
    Flash Point: 459.4±34.3 °C
    Index of Refraction: 1.652
    Molar Refractivity: 124.4±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.75
    ACD/LogD (pH 5.5): 3.01
    ACD/BCF (pH 5.5): 113.12
    ACD/KOC (pH 5.5): 1026.89
    ACD/LogD (pH 7.4): 3.01
    ACD/BCF (pH 7.4): 113.11
    ACD/KOC (pH 7.4): 1026.80
    Polar Surface Area: 99 Å2
    Polarizability: 49.3±0.5 10-24cm3
    Surface Tension: 64.0±5.0 dyne/cm
    Molar Volume: 340.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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