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1154-09-2 | 1-Propanamine, 3-dibenzo[b,e]thiepin-11(6H)-ylidene-N-methyl-
CAS No: 1154-09-2 Catalog No: AG000FXY MDL No:
Product Description
Catalog Number:
AG000FXY
Chemical Name:
1-Propanamine, 3-dibenzo[b,e]thiepin-11(6H)-ylidene-N-methyl-
CAS Number:
1154-09-2
Molecular Formula:
C18H19NS
Molecular Weight:
281.4152
IUPAC Name:
3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N-methylpropan-1-amine
InChI:
InChI=1S/C18H19NS/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18/h2-5,7-11,19H,6,12-13H2,1H3
InChI Key:
FTELXJYVTOFJAI-UHFFFAOYSA-N
SMILES:
CNCCC=C1c2ccccc2SCc2c1cccc2
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.124g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.417g/mol
Monoisotopic Mass:
281.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Assessment of the antidepressant activity of dothiepin and its metabolites by preclinical tests. | Journal of affective disorders 19820901 |
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