6-(Trifluoromethyl)isatin - CAS 343-69-1
Catalog: |
BB022091 |
Product Name: |
6-(Trifluoromethyl)isatin |
CAS: |
343-69-1 |
Synonyms: |
6-(trifluoromethyl)-1H-indole-2,3-dione; 6-(trifluoromethyl)-1H-indole-2,3-dione |
IUPAC Name: | 6-(trifluoromethyl)-1H-indole-2,3-dione |
Description: | 6-(Trifluoromethyl)isatin (CAS# 343-69-1) is used in preparation of substituted 3,4-dihydroquinazoline for treatment and prophylaxis of hepatitis b virus infection. |
Molecular Weight: | 215.13 |
Molecular Formula: | C9H4F3NO2 |
Canonical SMILES: | C1=CC2=C(C=C1C(F)(F)F)NC(=O)C2=O |
InChI: | InChI=1S/C9H4F3NO2/c10-9(11,12)4-1-2-5-6(3-4)13-8(15)7(5)14/h1-3H,(H,13,14,15) |
InChI Key: | CYVMRSKFRIKMQL-UHFFFAOYSA-N |
Density: | 1.525 g/cm3 |
LogP: | 1.97820 |
Publication Number | Title | Priority Date |
WO-2021063856-A1 | Substituted 3,4-dihydroquinazoline for the treatment and prophylaxis of hepatitis b virus infection | 20190930 |
WO-2021037868-A1 | Novel quinazoline compounds for the treatment and prophylaxis of hepatitis b virus disease | 20190828 |
CN-110240558-A | A kind of novel synthesis of Flindokalner raceme | 20190710 |
WO-2019121357-A1 | Novel quinoline compounds for the treatment and prophylaxis of hepatitis b virus disease | 20171219 |
CN-111511719-A | Quinoline compounds for the treatment and prophylaxis of hepatitis b virus diseases | 20171219 |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.01941286 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.01941286 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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Indolines
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