ChemSpider 2D Image | N-{[2-(1H-Pyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl}-L-alanine | C15H13N3O3S

N-{[2-(1H-Pyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl}-L-alanine

  • Molecular FormulaC15H13N3O3S
  • Average mass315.347 Da
  • Monoisotopic mass315.067749 Da
  • ChemSpider ID26457495

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{[2-(1H-pyrrol-1-yl)-1,3-benzothiazol-6-yl]formamido}propanoic acid
1291831-57-6 [RN]
L-Alanine, N-[[2-(1H-pyrrol-1-yl)-6-benzothiazolyl]carbonyl]- [ACD/Index Name]
N-{[2-(1H-Pyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl}-L-alanin [German] [ACD/IUPAC Name]
N-{[2-(1H-Pyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl}-L-alanine [ACD/IUPAC Name]
N-{[2-(1H-Pyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl}-L-alanine [French] [ACD/IUPAC Name]
(2S)-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]propanoic acid
(2S)-2-{[2-(pyrrol-1-yl)-1,3-benzothiazol-6-yl]formamido}propanoic acid
(S)-2-(2-(1H-Pyrrol-1-yl)benzo[d]thiazole-6-carboxamido)propanoic acid
AKOS004939013
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.716
    Molar Refractivity: 84.3±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.57
    ACD/LogD (pH 5.5): -0.53
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.88
    ACD/LogD (pH 7.4): -2.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 112 Å2
    Polarizability: 33.4±0.5 10-24cm3
    Surface Tension: 62.2±7.0 dyne/cm
    Molar Volume: 214.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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