ChemSpider 2D Image | MFCD00629250 | C22H21N3O3S

MFCD00629250

  • Molecular FormulaC22H21N3O3S
  • Average mass407.485 Da
  • Monoisotopic mass407.130371 Da
  • ChemSpider ID17721996

More details:

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

303093-33-6 [RN]
3-Quinolinecarboxamide, N-2-benzothiazolyl-1,2-dihydro-4-hydroxy-2-oxo-1-pentyl- [ACD/Index Name]
MFCD00629250
N-(1,3-Benzothiazol-2-yl)-4-hydroxy-2-oxo-1-pentyl-1,2-dihydro-3-chinolincarboxamid [German] [ACD/IUPAC Name]
N-(1,3-Benzothiazol-2-yl)-4-hydroxy-2-oxo-1-pentyl-1,2-dihydro-3-quinoléinecarboxamide [French] [ACD/IUPAC Name]
N-(1,3-Benzothiazol-2-yl)-4-hydroxy-2-oxo-1-pentyl-1,2-dihydro-3-quinolinecarboxamide [ACD/IUPAC Name]
N-(1,3-benzothiazol-2-yl)-4-hydroxy-2-oxo-1-pentyl-1,2-dihydroquinoline-3-carboxamide
4-Hydroxy-2-oxo-1-pentyl-1,2-dihydro-quinoline-3-carboxylic acid benzothiazol-2-ylamide
AC1LWG7O
AGN-PC-0AAJVK
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BAS 00141351 [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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.712
    Molar Refractivity: 114.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.63
    ACD/LogD (pH 5.5): 3.19
    ACD/BCF (pH 5.5): 101.87
    ACD/KOC (pH 5.5): 574.34
    ACD/LogD (pH 7.4): 1.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.47
    Polar Surface Area: 111 Å2
    Polarizability: 45.4±0.5 10-24cm3
    Surface Tension: 72.6±3.0 dyne/cm
    Molar Volume: 292.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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