ChemSpider 2D Image | (S)-tert-butyl 2-((2-(4-bromophenyl)-2-oxoethyl)carbamoyl)pyrrolidine-1-carboxylate | C18H23BrN2O4

(S)-tert-butyl 2-((2-(4-bromophenyl)-2-oxoethyl)carbamoyl)pyrrolidine-1-carboxylate

  • Molecular FormulaC18H23BrN2O4
  • Average mass411.290 Da
  • Monoisotopic mass410.084106 Da
  • ChemSpider ID26606707

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-tert-butyl 2-((2-(4-bromophenyl)-2-oxoethyl)carbamoyl)pyrrolidine-1-carboxylate
1007881-98-2 [RN]
1-Pyrrolidinecarboxylic acid, 2-[[[2-(4-bromophenyl)-2-oxoethyl]amino]carbonyl]-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
N-[2-(4-Bromophenyl)-2-oxoethyl]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolinamide [ACD/IUPAC Name]
N-[2-(4-Bromophényl)-2-oxoéthyl]-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-prolinamide [French] [ACD/IUPAC Name]
N-[2-(4-Bromphenyl)-2-oxoethyl]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolinamid [German] [ACD/IUPAC Name]
(S)-tert-butyl 2-(2-(4-bromophenyl)-2-oxoethylcarbamoyl)pyrrolidine-1-carboxylate
[1007881-98-2] [RN]
DS-10639
MFCD21496634
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [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: 581.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.0±3.0 kJ/mol
    Flash Point: 305.6±30.1 °C
    Index of Refraction: 1.561
    Molar Refractivity: 96.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.19
    ACD/LogD (pH 5.5): 2.87
    ACD/BCF (pH 5.5): 90.06
    ACD/KOC (pH 5.5): 872.31
    ACD/LogD (pH 7.4): 2.87
    ACD/BCF (pH 7.4): 90.06
    ACD/KOC (pH 7.4): 872.31
    Polar Surface Area: 76 Å2
    Polarizability: 38.4±0.5 10-24cm3
    Surface Tension: 48.8±3.0 dyne/cm
    Molar Volume: 299.1±3.0 cm3

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