5-Bromo-2(3H)-benzothiazolone - CAS 199475-45-1
Catalog: |
BB015403 |
Product Name: |
5-Bromo-2(3H)-benzothiazolone |
CAS: |
199475-45-1 |
Synonyms: |
5-bromo-3H-1,3-benzothiazol-2-one; 5-bromo-3H-1,3-benzothiazol-2-one |
IUPAC Name: | 5-bromo-3H-1,3-benzothiazol-2-one |
Description: | 5-Bromo-2(3H)-benzothiazolone (CAS# 199475-45-1) is a useful research chemical compound. |
Molecular Weight: | 230.08 |
Molecular Formula: | C7H4BrNOS |
Canonical SMILES: | C1=CC2=C(C=C1Br)NC(=O)S2 |
InChI: | InChI=1S/C7H4BrNOS/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10) |
InChI Key: | BNWQDLHPYANRAV-UHFFFAOYSA-N |
Density: | 1.815 g/cm3 |
LogP: | 2.35210 |
Publication Number | Title | Priority Date |
EP-3464270-A2 | Heterocyclic inhibitors of cbp/ep300 and their use in the treatment of cancer | 20160524 |
JP-2019516757-A | Heterocyclic inhibitors of CBP / EP 300 and their use in the treatment of cancer | 20160524 |
US-10696655-B2 | Therapeutic compounds and uses thereof | 20160524 |
US-2019152949-A1 | Therapeutic compounds and uses thereof | 20160524 |
WO-2017205536-A2 | Therapeutic compounds and uses thereof | 20160524 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.9197 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.9197 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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