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128377-70-8 | Ethanone, 2-(dimethylamino)-1-(6-methyl-5,5-dioxidodibenzo[c,f][1,2,5]thiadiazepin-11(6H)-yl)-
CAS No: 128377-70-8 Catalog No: AG000Y1E MDL No:
Product Description
Catalog Number:
AG000Y1E
Chemical Name:
Ethanone, 2-(dimethylamino)-1-(6-methyl-5,5-dioxidodibenzo[c,f][1,2,5]thiadiazepin-11(6H)-yl)-
CAS Number:
128377-70-8
Molecular Formula:
C17H19N3O3S
Molecular Weight:
345.4161
IUPAC Name:
2-(dimethylamino)-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone
InChI:
InChI=1S/C17H19N3O3S/c1-18(2)12-17(21)20-14-9-5-4-8-13(14)19(3)24(22,23)16-11-7-6-10-15(16)20/h4-11H,12H2,1-3H3
InChI Key:
HHTWCWCZKQRKRJ-UHFFFAOYSA-N
SMILES:
CN(CC(=O)N1c2ccccc2N(S(=O)(=O)c2c1cccc2)C)C
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.417g/mol
Monoisotopic Mass:
345.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Potential antidepressant activity and enhancement of serotonin uptake of a new dibenzothiadiazepine derivative. | Arzneimittel-Forschung 19910601 |
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