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206256-29-3 | 5H-Indolo[3,2-b][1,5]benzothiazepin-6(7H)-one, 2-chloro-
CAS No: 206256-29-3 Catalog No: AG002IE0 MDL No:
Product Description
Catalog Number:
AG002IE0
Chemical Name:
5H-Indolo[3,2-b][1,5]benzothiazepin-6(7H)-one, 2-chloro-
CAS Number:
206256-29-3
Molecular Formula:
C15H9ClN2OS
Molecular Weight:
300.7628
IUPAC Name:
2-chloro-5,7-dihydroindolo[3,2-b][1,5]benzothiazepin-6-one
InChI:
InChI=1S/C15H9ClN2OS/c16-8-5-6-10-9(7-8)14-13(17-10)15(19)18-11-3-1-2-4-12(11)20-14/h1-7,17H,(H,18,19)
InChI Key:
BIPIJISKHXJLFJ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c1sc3ccccc3[nH]c(=O)c1[nH]2
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.012g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.76g/mol
Monoisotopic Mass:
300.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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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