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309268-43-7 | 2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole
CAS No: 309268-43-7 Catalog No: AG00IYSE MDL No:MFCD01626225
Product Description
Catalog Number:
AG00IYSE
Chemical Name:
2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole
CAS Number:
309268-43-7
Molecular Formula:
C17H17N3O2S2
Molecular Weight:
359.4658
MDL Number:
MFCD01626225
IUPAC Name:
2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole
InChI:
InChI=1S/C17H17N3O2S2/c21-24(22,14-6-2-1-3-7-14)20-12-10-19(11-13-20)17-18-15-8-4-5-9-16(15)23-17/h1-9H,10-13H2
InChI Key:
VFJZPUKXXPGRNK-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)N1CCN(CC1)c1nc2c(s1)cccc2
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.076g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.462g/mol
Monoisotopic Mass:
359.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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