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Search term: WVRBXBROEPXZHF-SANMLTNESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-Cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[(2R)-2-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide | C29H38Cl2N4O4

N-Cyclohexyl-N3-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[(2R)-2-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-β-alaninamide

  • Molecular FormulaC29H38Cl2N4O4
  • Average mass577.542 Da
  • Monoisotopic mass576.226990 Da
  • ChemSpider ID35035425

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-Cyclohexyl-N3-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[(2R)-2-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-β-alaninamide [ACD/IUPAC Name]
N-Cyclohexyl-N3-[2-(3,4-dichlorophényl)éthyl]-N-(2-{[(2R)-2-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)éthyl]amino}éthyl)-β-alaninamide [French] [ACD/IUPAC Name]
N-Cyclohexyl-N3-[2-(3,4-dichlorphenyl)ethyl]-N-(2-{[(2R)-2-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-β-alaninamid [German] [ACD/IUPAC Name]
Propanamide, N-cyclohexyl-3-[[2-(3,4-dichlorophenyl)ethyl]amino]-N-[2-[[(2R)-2-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-8-yl)-2-hydroxyethyl]amino]ethyl]- [ACD/Index Name]
(R)-N-cyclohexyl-3-((3,4-dichlorophenethyl)amino)-N-(2-((2-hydroxy-2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)ethyl)amino)ethyl)propanamide
1868232-32-9 [RN]
4GQ
A-893
MFCD28952792

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 790.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 120.6±3.0 kJ/mol
    Flash Point: 431.9±32.9 °C
    Index of Refraction: 1.623
    Molar Refractivity: 154.0±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 1
    ACD/LogP: 3.13
    ACD/LogD (pH 5.5): -0.19
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 1.98
    ACD/BCF (pH 7.4): 6.64
    ACD/KOC (pH 7.4): 39.24
    Polar Surface Area: 103 Å2
    Polarizability: 61.1±0.5 10-24cm3
    Surface Tension: 62.0±5.0 dyne/cm
    Molar Volume: 436.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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