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206256-30-6 | 5H-Indolo[3,2-b][1,5]benzothiazepin-6(7H)-one, 2,10-dichloro-
CAS No: 206256-30-6 Catalog No: AG002IDZ MDL No:
Product Description
Catalog Number:
AG002IDZ
Chemical Name:
5H-Indolo[3,2-b][1,5]benzothiazepin-6(7H)-one, 2,10-dichloro-
CAS Number:
206256-30-6
Molecular Formula:
C15H8Cl2N2OS
Molecular Weight:
335.2078
IUPAC Name:
2,10-dichloro-5,7-dihydroindolo[3,2-b][1,5]benzothiazepin-6-one
InChI:
InChI=1S/C15H8Cl2N2OS/c16-7-1-3-10-9(5-7)14-13(18-10)15(20)19-11-4-2-8(17)6-12(11)21-14/h1-6,18H,(H,19,20)
InChI Key:
VAWRDMISXAQNAH-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)sc1c(c(=O)[nH]2)[nH]c2c1cc(Cl)cc2
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.973g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.202g/mol
Monoisotopic Mass:
333.973g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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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