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206256-22-6 | 5H-Indolo[3,2-b][1,5]benzothiazepin-6(7H)-one, 2,10-dichloro-, 12,12-dioxide
CAS No: 206256-22-6 Catalog No: AG002ID0 MDL No:
Product Description
Catalog Number:
AG002ID0
Chemical Name:
5H-Indolo[3,2-b][1,5]benzothiazepin-6(7H)-one, 2,10-dichloro-, 12,12-dioxide
CAS Number:
206256-22-6
Molecular Formula:
C15H8Cl2N2O3S
Molecular Weight:
367.2066
IUPAC Name:
2,10-dichloro-12,12-dioxo-5,7-dihydroindolo[3,2-b][1,5]benzothiazepin-6-one
InChI:
InChI=1S/C15H8Cl2N2O3S/c16-7-1-3-10-9(5-7)14-13(18-10)15(20)19-11-4-2-8(17)6-12(11)23(14,21)22/h1-6,18H,(H,19,20)
InChI Key:
PKOCMUOLZKTGPE-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c1c([nH]2)C(=O)Nc2c(S1(=O)=O)cc(Cl)cc2
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.963g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.2g/mol
Monoisotopic Mass:
365.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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