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1977-09-9 | 11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine
CAS No: 1977-09-9 Catalog No: AG01DHBJ MDL No:MFCD01730805
Product Description
Catalog Number:
AG01DHBJ
Chemical Name:
11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine
CAS Number:
1977-09-9
Molecular Formula:
C18H19N3S
Molecular Weight:
309.4286
MDL Number:
MFCD01730805
IUPAC Name:
6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine
InChI:
InChI=1S/C18H19N3S/c1-20-10-12-21(13-11-20)18-14-6-2-4-8-16(14)22-17-9-5-3-7-15(17)19-18/h2-9H,10-13H2,1H3
InChI Key:
SFMINLHQDVFHIR-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.13g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.431g/mol
Monoisotopic Mass:
309.13g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Behavioral approach to nondyskinetic dopamine antagonists: identification of seroquel. | Journal of medicinal chemistry 20010201 |
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