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1730-43-4 | 10H-Phenothiazine, 3,7-dimethoxy-
CAS No: 1730-43-4 Catalog No: AG007BZ7 MDL No:
Product Description
Catalog Number:
AG007BZ7
Chemical Name:
10H-Phenothiazine, 3,7-dimethoxy-
CAS Number:
1730-43-4
Molecular Formula:
C14H13NO2S
Molecular Weight:
259.3235
IUPAC Name:
3,7-dimethoxy-10H-phenothiazine
InChI:
InChI=1S/C14H13NO2S/c1-16-9-3-5-11-13(7-9)18-14-8-10(17-2)4-6-12(14)15-11/h3-8,15H,1-2H3
InChI Key:
OZYCUQNWECHWDU-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)Sc1c(N2)ccc(c1)OC
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.323g/mol
Monoisotopic Mass:
259.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Synthesis and in vitro evaluation of α-synuclein ligands. | Bioorganic & medicinal chemistry 20120801 |
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