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63208-95-7 | 1'-Benzyl-3H-spiro[1,3-benzothiazole-2,4'-piperidine]
CAS No: 63208-95-7 Catalog No: AG00EOUI MDL No:MFCD03102266
Product Description
Catalog Number:
AG00EOUI
Chemical Name:
1'-Benzyl-3H-spiro[1,3-benzothiazole-2,4'-piperidine]
CAS Number:
63208-95-7
Molecular Formula:
C18H20N2S
Molecular Weight:
296.4298
MDL Number:
MFCD03102266
IUPAC Name:
1'-benzylspiro[3H-1,3-benzothiazole-2,4'-piperidine]
InChI:
InChI=1S/C18H20N2S/c1-2-6-15(7-3-1)14-20-12-10-18(11-13-20)19-16-8-4-5-9-17(16)21-18/h1-9,19H,10-14H2
InChI Key:
VNSVQTGIKLTTQJ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCC2(CC1)Nc1c(S2)cccc1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.135g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.432g/mol
Monoisotopic Mass:
296.135g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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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