ChemSpider 2D Image | 4-Bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-morpholinylsulfonyl)benzamide | C20H20BrN3O4S2

4-Bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-morpholinylsulfonyl)benzamide

  • Molecular FormulaC20H20BrN3O4S2
  • Average mass510.424 Da
  • Monoisotopic mass509.007843 Da
  • ChemSpider ID894168

More details:

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

4-Brom-N-(3-cyan-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-morpholinylsulfonyl)benzamid [German] [ACD/IUPAC Name]
4-Bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-morpholinylsulfonyl)benzamide [ACD/IUPAC Name]
4-Bromo-N-(3-cyano-4,5,6,7-tétrahydro-1-benzothiophén-2-yl)-3-(4-morpholinylsulfonyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3-(4-morpholinylsulfonyl)- [ACD/Index Name]
[4-bromo-3-(morpholin-4-ylsulfonyl)phenyl]-N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))carboxamide
313260-91-2 [RN]
4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(4-morpholinylsulfonyl)benzamide
4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(morpholin-4-ylsulfonyl)benzamide
4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylsulfonylbenzamide
4-Bromo-N-(3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-3-(morpholine-4-sulfonyl)-benzamide
More...

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

A1130/0052822 [DBID]
AG-205/36627025 [DBID]
BAS 00822788 [DBID]
EU-0017840 [DBID]
ZINC00713064 [DBID]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.693
    Molar Refractivity: 117.7±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 4.18
    ACD/LogD (pH 5.5): 3.78
    ACD/BCF (pH 5.5): 442.59
    ACD/KOC (pH 5.5): 2726.55
    ACD/LogD (pH 7.4): 3.78
    ACD/BCF (pH 7.4): 442.54
    ACD/KOC (pH 7.4): 2726.25
    Polar Surface Area: 136 Å2
    Polarizability: 46.7±0.5 10-24cm3
    Surface Tension: 79.9±5.0 dyne/cm
    Molar Volume: 306.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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