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Home > Indoles and Oxindole > 206256-13-5
206256-13-5 | 5H-Indolo[3,2-b][1,5]benzothiazepin-6(7H)-one, 12,12-dioxide
CAS No: 206256-13-5 Catalog No: AG002ID6 MDL No:
Product Description
Catalog Number:
AG002ID6
Chemical Name:
5H-Indolo[3,2-b][1,5]benzothiazepin-6(7H)-one, 12,12-dioxide
CAS Number:
206256-13-5
Molecular Formula:
C15H10N2O3S
Molecular Weight:
298.3165
IUPAC Name:
12,12-dioxo-5,7-dihydroindolo[3,2-b][1,5]benzothiazepin-6-one
InChI:
InChI=1S/C15H10N2O3S/c18-15-13-14(9-5-1-2-6-10(9)16-13)21(19,20)12-8-4-3-7-11(12)17-15/h1-8,16H,(H,17,18)
InChI Key:
NEQFULQJXNIORT-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2S(=O)(=O)c2c1[nH]c1c2cccc1
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.041g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.316g/mol
Monoisotopic Mass:
298.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of 5H-indolo [3,2-b][1,5]benzothiazepine derivatives, designed as conformationally constrained analogues of the human immunodeficiency virus type 1 reverse transcriptase inhibitor L-737,126. | Antiviral chemistry & chemotherapy 19980301 |
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