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109363-81-7 | [1]Benzopyrano[3,4-b][1,4]benzothiazin-6(12H)-one, 3-hydroxy-
CAS No: 109363-81-7 Catalog No: AG007T6X MDL No:
Product Description
Catalog Number:
AG007T6X
Chemical Name:
[1]Benzopyrano[3,4-b][1,4]benzothiazin-6(12H)-one, 3-hydroxy-
CAS Number:
109363-81-7
Molecular Formula:
C15H9NO3S
Molecular Weight:
283.3019
IUPAC Name:
3-hydroxy-12H-chromeno[3,4-b][1,4]benzothiazin-6-one
InChI:
InChI=1S/C15H9NO3S/c17-8-5-6-9-11(7-8)19-15(18)14-13(9)16-10-3-1-2-4-12(10)20-14/h1-7,16-17H
InChI Key:
OAFVJLIAOXPHLT-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(=O)c1c2Nc2ccccc2S1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.03g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.301g/mol
Monoisotopic Mass:
283.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Substituted benzopyranobenzothiazinones. Synthesis and estrogenic activity on MCF-7 breast carcinoma cells. | European journal of medicinal chemistry 20010201 |
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