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155106-73-3 | Benzothiazole, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-
CAS No: 155106-73-3 Catalog No: AG001NM0 MDL No:
Product Description
Catalog Number:
AG001NM0
Chemical Name:
Benzothiazole, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-
CAS Number:
155106-73-3
Molecular Formula:
C19H19N3O2S
Molecular Weight:
353.4381
IUPAC Name:
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3-benzothiazole
InChI:
InChI=1S/C19H19N3O2S/c1-2-4-18-15(3-1)20-19(25-18)22-9-7-21(8-10-22)12-14-5-6-16-17(11-14)24-13-23-16/h1-6,11H,7-10,12-13H2
InChI Key:
BYHKGNWKJMGHGE-UHFFFAOYSA-N
SMILES:
C1Oc2c(O1)cc(cc2)CN1CCN(CC1)c1nc2c(s1)cccc2
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.12g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.44g/mol
Monoisotopic Mass:
353.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Diverse regulation of atrial natriuretic peptide secretion by serotonin receptor subtypes. | Cardiovascular research 20030801 |
| DARPP-32 mediates serotonergic neurotransmission in the forebrain. | Proceedings of the National Academy of Sciences of the United States of America 20020305 |
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